Cas no 622-52-6 ((4-methylphenyl)thiourea)

(4-Methylphenyl)thiourea is a thiourea derivative characterized by the presence of a para-methylphenyl substituent. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and pharmaceutical agents. Its thiourea moiety enables chelation and coordination with metal ions, making it relevant in catalysis and material science applications. The methyl group enhances solubility in organic solvents, facilitating its use in reaction systems requiring moderate polarity. The compound exhibits stability under standard conditions, ensuring consistent performance in synthetic workflows. Its well-defined structure allows for precise functionalization, supporting its role in targeted molecular design. Proper handling is advised due to potential toxicity.
(4-methylphenyl)thiourea structure
(4-methylphenyl)thiourea structure
Product Name:(4-methylphenyl)thiourea
CAS No:622-52-6
MF:C8H10N2S
MW:166.243400096893
MDL:MFCD00041190
CID:82779
PubChem ID:87576533
Update Time:2025-06-10

(4-methylphenyl)thiourea Chemical and Physical Properties

Names and Identifiers

    • P-Tolylthiourea
    • 4-Methylphenylthiourea
    • para-Tolylthiourea
    • N-(p-Tolyl)thiourea
    • (4-methylphenyl)thiourea
    • 1-(4-Methylphenyl)-2-thiourea
    • 1-(p-Tolyl)thiourea
    • 1-p-Tolylthiourea
    • 1-(4-methylphenyl)thiourea
    • N-(4-Methylphenyl)thiourea
    • N-p-Tolylthiourea
    • p-Tolylthiocarbamide
    • Urea, 2-thio-1-p-tolyl-
    • Thiourea, (4-methylphenyl)-
    • 1-(4-methylphenyl) thiourea
    • VXLFMCZPFIKKDZ-UHFFFAOYSA-N
    • amino[(4-methylphenyl)amino]methane-1-thione
    • 4-Tolylthiourea
    • p-tolyl thiourea
    • NSC28041
    • 1-p-Tol
    • WLN: SUYZMR D1
    • SCHEMBL1278440
    • FT-0619102
    • T0656
    • NS00020439
    • NSC-28041
    • EINECS 210-740-8
    • DTXSID40211239
    • 622-52-6
    • UNII-SL946R8H7J
    • NCGC00246120-01
    • AI3-61384
    • CS-0128256
    • NSC 28041
    • Thiourea, N-(4-methylphenyl)-
    • SMR000264357
    • MFCD00041190
    • p-Tolyl-isothioharnstoff
    • AB92352
    • N-(p-methylphenyl) thiourea
    • AKOS005169879
    • BDBM50356163
    • HMS2573G16
    • (p-Methylphenyl)thiourea
    • SL946R8H7J
    • AKOS000113781
    • A833678
    • SCHEMBL10785064
    • EN300-12865
    • p-Tolythiourea
    • N-(4-methylphenyl)-1-sulfanylmethanimidamide
    • MLS000417143
    • 7R-0242
    • Z57965505
    • F0777-0572
    • N-(4-methylphenyl)carbamimidothioic acid
    • CHEMBL1088360
    • STK104869
    • DB-018611
    • MDL: MFCD00041190
    • Inchi: 1S/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
    • InChI Key: VXLFMCZPFIKKDZ-UHFFFAOYSA-N
    • SMILES: S=C(N)NC1C=CC(C)=CC=1
    • BRN: 2086619

Computed Properties

  • Exact Mass: 166.05600
  • Monoisotopic Mass: 166.056469
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 139
  • 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: 3
  • XLogP3: 1.1
  • Topological Polar Surface Area: 70.1

Experimental Properties

  • Color/Form: Powder.
  • Density: 1.242
  • Melting Point: 178.0 to 182.0 deg-C
  • Boiling Point: 282.5°C at 760 mmHg
  • Flash Point: 124.6°C
  • Refractive Index: 1.696
  • PSA: 70.14000
  • LogP: 2.42380
  • Solubility: Not determined

(4-methylphenyl)thiourea Security Information

  • Symbol: GHS06
  • Prompt:dangerous
  • Signal Word:Warning
  • Hazard Statement: H301
  • Warning Statement: P264-P270-P301+P310+P330-P405-P501
  • Hazardous Material transportation number:2811
  • Hazard Category Code: 25
  • Safety Instruction: S20-S36-S45-S60
  • RTECS:YU3325000
  • Hazardous Material Identification: Xi
  • HazardClass:6.1
  • PackingGroup:II
  • Storage Condition:Sealed in dry,Room Temperature(BD5219)
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R25
  • Packing Group:III
  • Hazard Level:6.1

(4-methylphenyl)thiourea Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(4-methylphenyl)thiourea Pricemore >>

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