Cas no 134469-07-1 (o-phenylenethiourea)

o-Phenylenethiourea is a sulfur-containing organic compound with the molecular formula C7H6N2S. It is characterized by its thiourea moiety bonded to a phenyl ring, imparting unique chemical properties. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and as a reagent in coordination chemistry. Its structural features enable selective reactivity, making it valuable for applications in pharmaceuticals, agrochemicals, and materials science. o-Phenylenethiourea exhibits stability under standard conditions and demonstrates compatibility with various reaction conditions, facilitating its use in complex synthetic pathways. Its well-defined structure and functional versatility contribute to its utility in research and industrial processes.
o-phenylenethiourea structure
o-phenylenethiourea structure
Product Name:o-phenylenethiourea
CAS No:134469-07-1
MF:C7H6N2S
MW:150.200939655304
CID:851153
PubChem ID:707035
Update Time:2025-05-24

o-phenylenethiourea Chemical and Physical Properties

Names and Identifiers

    • 1H-BENZOIMIDAZOLE-2-THIOL
    • 1H-Benzimidazole-2-thiol(9CI)
    • 1H-Benzimidazole-2-thiol
    • 1,5-Naphthyridine-2(1H)-thione
    • 1H-[1,5]naphthyridine-2-thione
    • 1H-benzoimidazol-2-thiol
    • 2-Mercapto-1.5-naphtyridin
    • 2-mercapto-1H-benzimidazole
    • 2-mercapto-benzimidazole
    • 2-mercaptobenzo[d]imidazole
    • 2-mercaptobenzoimidazole
    • CTK1F7750
    • SureCN9533947
    • 1H-benzo[d]imidazole-2(3H)-thione
    • Tox21_201828
    • Maybridge1_006897
    • AKOS016371491
    • 2-Benzimidazolethiol
    • Mercaptobenzoimidazole
    • NSC-21414
    • Z203045044
    • 1,3-Dihydro-2H-benzo[d]imidazole-2-thione
    • STK394298
    • EINECS 209-502-6
    • MFCD00005593
    • 5468-83-7
    • MFCD00466107
    • 2-BENZIMIDAZOLETHIOL [MI]
    • BCP21899
    • 2H-Benzimidazole-2-thione, 1,3-dihydro-
    • 1,3-Dihydro-benzimidazole-2-thione
    • Permanax 21
    • NS00007923
    • 1,3-Dihydro-2H-benzimidazole-2-thione
    • Merkaptobenzimidazol
    • DTXCID805536
    • PD148021
    • Benzimidazoline-2-thione
    • SCHEMBL1872555
    • Q16004147
    • BIDD:GT0154
    • MERCAPTOBENZIMIDAZOLE, 2-
    • 2-Thiobenzimidazole
    • NSC21414
    • S 00965
    • USAF XF-21
    • SCHEMBL36857
    • 619CVM6HOK
    • 2-Mercaptobenzimidazole, analytical standard
    • WLN: T56 BM DNJ CSH
    • 2-mercapto-1 H-benzimidazole
    • NCGC00091164-02
    • WLN: T56 BMYMJ CUS
    • MLS000420224
    • 1H-Benzo[d]imidazole-2-thiol
    • Tox21_303274
    • NCGC00257094-01
    • 2-Benzimidazole thiol
    • CS-W023180
    • CCRIS 4837
    • Lansoprazole EP Impurity E
    • W11093
    • 2-Merkaptobenzimidazol [Czech]
    • CAS-583-39-1
    • B0055
    • Antioxidant MB [Czech]
    • SCHEMBL1236095
    • CHEMBL70141
    • 2-Mercaptobenzimidazole
    • Antigen MB
    • MERCAPTOBENZIMIDAZOLE [USP IMPURITY]
    • 2mercaptobenzimidazole
    • STL294808
    • NSC-186246
    • NCI-C60980
    • 2-sulfanylbenzimidazole
    • ASM MB
    • 2-Merkaptobenzimidazol
    • HMS2671C17
    • LANSOPRAZOLE IMPURITY E [EP IMPURITY]
    • 1h-benzimidazole-2(3h)-thione
    • SR-01000637371-1
    • AOMB
    • FS-2658
    • 2-Thiol benzimidazole
    • RABEPRAZOLE SODIUM IMPURITY F [EP IMPURITY]
    • NCGC00091164-01
    • NCI-C56268
    • 2-Benzimidazolinethione
    • Mercaptobenzimidazole
    • SMR000322777
    • AKOS000119126
    • J-504656
    • 1H-1,3-benzodiazole-2-thiol
    • BBL023512
    • NSC186246
    • Q-101102
    • USAF EK-6540
    • AC-6272
    • starbld0019593
    • 583-39-1
    • NSC 186246
    • EN300-21475
    • 2-Benzimidazolinthion
    • NCGC00259377-01
    • F0074-0053
    • Antigene MB
    • UNII-619CVM6HOK
    • 2-Benzimidazolinthion [Czech]
    • Anitiegene MB
    • Antiegene MB
    • 2(3H)-Benzimidazolethione
    • Antioxidant MB
    • HMS561B11
    • CCG-47778
    • Merkaptobenzimidazol [Czech]
    • Benzimidazole-2-thiol
    • BDBM50570899
    • DB-053189
    • AI3-18633
    • Benzimidazolethiol
    • 2-Mercaptobenzimidazole, 98%
    • 2-mercaptobenzimidazol
    • 1,3-dihydrobenzimidazole-2-thione
    • DTXSID9025536
    • DB-042239
    • AH-034/32845023
    • 2-Mercapto Benzimidazole
    • 2-mercapto-1H-benzimidazol
    • 134469-07-1
    • o-Phenylenethiourea
    • EC 209-502-6
    • BBL011714
    • Benzimidazole-2(3H)-thione
    • NSC 21414
    • CHEBI:228724
    • o-phenylenethiourea
    • Inchi： 1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
    • InChI Key： YHMYGUUIMTVXNW-UHFFFAOYSA-N
    • SMILES： S=C1NC2C=CC=CC=2N1

Computed Properties

  • Exact Mass: 150.02528
  • Monoisotopic Mass: 150.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 142
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 56.2A^2

Experimental Properties

  • Color/Form: 黃色或白色晶體
  • Density: 1.39
  • Melting Point: 577 to 579 °F (NTP, 1992)
  • Boiling Point: 270.6oC at 760 mmHg
  • Flash Point: 117.5℃
  • Refractive Index: 1.744
  • PSA: 28.68
  • LogP: 1.85160

o-phenylenethiourea Security Information

  • Hazard Category Code： 24-51-54
  • Safety Instruction： 13-3/7-50A
  • Storage Condition：Keep container closed when not in use. Store in a cool, dry, well ventilated area away from incompatible substances. Keep container tightly closed.

o-phenylenethiourea Pricemore >>

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o-phenylenethiourea Related Literature

Related Categories

Additional information on o-phenylenethiourea

O-Phenylenethiourea: A Comprehensive Overview

O-Phenylenethiourea, also known by its CAS number 134469-07-1, is a chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound, with the molecular formula C8H8N2S, is characterized by its unique structure and versatile applications. In recent years, advancements in synthetic methodologies and its integration into novel materials have further highlighted its importance in both academic and industrial settings.

The structure of o-phenylenethiourea consists of a benzene ring substituted with two thiourea groups at the ortho positions. This arrangement imparts the molecule with distinctive electronic properties, making it a valuable component in various chemical reactions. Recent studies have demonstrated its potential as a building block for constructing advanced materials, such as coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional properties, including high surface area, tunable pore sizes, and catalytic activity, which are highly desirable for applications in gas storage, separation, and catalysis.

One of the most notable advancements involving o-phenylenethiourea is its role in the synthesis of two-dimensional (2D) materials. Researchers have successfully utilized this compound to fabricate layered structures with enhanced mechanical and electronic properties. For instance, a study published in Nature Communications highlighted the use of o-phenylenethiourea in creating graphene-like sheets with superior conductivity and flexibility. Such innovations underscore its potential in revolutionizing the field of nanotechnology.

In addition to its role in materials science, o-phenylenethiourea has also found applications in organic synthesis. Its ability to act as a versatile nucleophile makes it an invaluable reagent in various coupling reactions. Recent research has explored its use in the synthesis of bioactive compounds, such as peptide analogs and drug delivery systems. These findings suggest that o-phenylenethiourea could play a pivotal role in the development of next-generation pharmaceuticals.

The synthesis of o-phenylenethiourea has been optimized through innovative methodologies, ensuring higher yields and improved purity. Traditional approaches involve the reaction of o-phenylenediamine with carbon disulfide under specific conditions. However, recent advancements have introduced more efficient protocols, such as microwave-assisted synthesis and continuous-flow methods. These techniques not only enhance productivity but also align with the growing demand for sustainable chemical processes.

From an environmental perspective, o-phenylenethiourea exhibits favorable biodegradation characteristics under aerobic conditions. Studies have shown that it decomposes into innocuous byproducts, minimizing its ecological footprint. This attribute makes it an attractive candidate for green chemistry initiatives, where reducing environmental impact is a primary concern.

In conclusion, o-phenylenethiourea stands as a testament to the boundless possibilities offered by organic chemistry. Its unique structure, coupled with recent breakthroughs in synthesis and application, positions it as a key player in advancing modern science and technology. As research continues to uncover new potentials for this compound, its influence on various industries is expected to grow significantly.

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