Cas no 2986-17-6 (1,3-bis(propan-2-yl)thiourea)

1,3-Bis(propan-2-yl)thiourea is a thiourea derivative characterized by the presence of two isopropyl groups bonded to the nitrogen atoms of the thiourea core. This compound exhibits notable stability and reactivity, making it useful in organic synthesis and coordination chemistry. Its sterically hindered structure can influence reaction selectivity, particularly in metal complexation and catalysis. The thiourea moiety provides strong chelating properties, enabling applications in ligand design for transition metals. Additionally, the isopropyl substituents enhance solubility in organic solvents, facilitating handling in synthetic workflows. This compound may also serve as a precursor for further functionalized thiourea derivatives or as an intermediate in pharmaceutical and agrochemical research.
1,3-bis(propan-2-yl)thiourea structure
1,3-bis(propan-2-yl)thiourea structure
Product Name:1,3-bis(propan-2-yl)thiourea
CAS No:2986-17-6
MF:C7H16N2S
MW:160.2803
MDL:MFCD00040485
CID:43664
PubChem ID:2758386
Update Time:2025-11-01

1,3-bis(propan-2-yl)thiourea Chemical and Physical Properties

Names and Identifiers

    • 1,3-diisopropyl-2-thiourea
    • Diisopropylthiourea
    • N,N-Diisopropylthiourea
    • N,N'-Diisopropylthiourea
    • 1,3-Diisopropylthiourea
    • 1,3-Bis(propan-2-yl)thiourea
    • 1,3-di(propan-2-yl)thiourea
    • 1.3-Diisopropylthiouea
    • SYM.-DIISOPROPYLTHIOUREA
    • N,N'-Diisoprop thiourea
    • UREA,1,3-DIISOPROPYL-2-THIO
    • Thiourea, N,N'-bis(1-methylethyl)-
    • Diisopropyl thiourea
    • UREA, 1,3-DIISOPROPYL-2-THIO-
    • sym-Diisopropylthiourea
    • N,N'-Bis(1-methylethyl)thiourea
    • N,N'-Diisopropylthiorea
    • 1,3-diisopropyl thiourea
    • KREOCUNMMFZOOS-UHFFFAOYSA-N
    • NSC8694
    • 1,3-diisopropyl-thiourea
    • Urea,3-diisopropyl-2-thio-
    • Q26840838
    • F0001-0922
    • CS-W016153
    • J-017671
    • BCP21777
    • Q4K58EWC8L
    • Thiourea,N'-bis(1-methylethyl)-
    • BRN 0605861
    • D0253
    • AC1270
    • BS-16434
    • SY050583
    • 4-04-00-00526 (Beilstein Handbook Reference)
    • EN300-1265907
    • WLN: 1Y1&MYUS&MY1&1
    • InChI=1/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10
    • 2986-17-6
    • UNII-Q4K58EWC8L
    • NS00028787
    • NSC-8694
    • EINECS 221-051-7
    • 1,3-Diisopropyl-2-thiourea, 99%
    • SCHEMBL11847908
    • AKOS003718464
    • AI3-08622
    • SCHEMBL437705
    • DTXSID1062756
    • NSC 8694
    • MFCD00040485
    • 1,3-bis(propan-2-yl)thiourea
    • MDL: MFCD00040485
    • Inchi: 1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
    • InChI Key: KREOCUNMMFZOOS-UHFFFAOYSA-N
    • SMILES: S=C(N([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H]
    • BRN: 0605861

Computed Properties

  • Exact Mass: 160.10300
  • Monoisotopic Mass: 160.103
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 98.2
  • 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: 1.6
  • Topological Polar Surface Area: 56.2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.0247 (rough estimate)
  • Melting Point: 143.0 to 146.0 deg-C
  • Boiling Point: 110°C (rough estimate)
  • Flash Point: 74.9 °C
  • Refractive Index: 1.6000 (estimate)
  • PSA: 56.15000
  • LogP: 2.04910
  • Solubility: Soluble in chloroform and hot ethanol

1,3-bis(propan-2-yl)thiourea Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264-P270-P301+P312+P330-P501
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Safety Instruction: S27-S28-S36/37/39-S45
  • RTECS:YS9860000
  • Hazardous Material Identification: T
  • Risk Phrases:R23/24/25
  • Safety Term:S27;S28;S36/37/39;S45

1,3-bis(propan-2-yl)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%

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1,3-bis(propan-2-yl)thiourea Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2986-17-6)N,N'-二異丙基硫脲
Order Number:LE8215777;LE412
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:46
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2986-17-6)N,N'-DIISOPROPYLTHIOUREA
Order Number:sfd21753
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:39
Price ($):discuss personally

Additional information on 1,3-bis(propan-2-yl)thiourea

Recent Advances in the Study of 1,3-bis(propan-2-yl)thiourea (CAS 2986-17-6): A Comprehensive Research Brief

1,3-bis(propan-2-yl)thiourea (CAS 2986-17-6) is a thiourea derivative that has garnered significant attention in the chemical, biological, and pharmaceutical research communities due to its unique structural properties and potential applications. Recent studies have explored its role as a versatile intermediate in organic synthesis, its biological activities, and its potential therapeutic uses. This research brief aims to provide a comprehensive overview of the latest findings related to this compound, highlighting its significance in various scientific and industrial contexts.

In the realm of organic chemistry, 1,3-bis(propan-2-yl)thiourea has been investigated for its utility as a ligand in coordination chemistry and catalysis. A 2023 study published in the Journal of Organic Chemistry demonstrated its effectiveness in facilitating palladium-catalyzed cross-coupling reactions, which are pivotal in the synthesis of complex organic molecules. The study reported that the compound's thiourea moiety enhances the stability of the catalytic intermediate, thereby improving reaction yields and selectivity. These findings suggest that 1,3-bis(propan-2-yl)thiourea could play a crucial role in streamlining synthetic pathways for pharmaceuticals and agrochemicals.

Beyond its applications in synthesis, recent research has also delved into the biological activities of 1,3-bis(propan-2-yl)thiourea. A 2022 paper in Bioorganic & Medicinal Chemistry Letters explored its antimicrobial properties, revealing moderate activity against Gram-positive bacteria, including Staphylococcus aureus. The study hypothesized that the compound's mechanism of action involves disruption of bacterial cell membrane integrity, though further mechanistic studies are warranted. Additionally, preliminary in vitro assays indicated potential anti-inflammatory effects, making it a candidate for further investigation in drug discovery programs targeting inflammatory diseases.

The pharmaceutical potential of 1,3-bis(propan-2-yl)thiourea has also been a focal point of recent investigations. A 2023 preclinical study published in European Journal of Medicinal Chemistry evaluated its efficacy as a kinase inhibitor, with promising results in inhibiting specific tyrosine kinases implicated in cancer progression. The study employed molecular docking simulations and enzymatic assays to elucidate the compound's binding affinity and inhibitory potency. While the results are preliminary, they underscore the need for further optimization and in vivo validation to assess its therapeutic potential.

In conclusion, 1,3-bis(propan-2-yl)thiourea (CAS 2986-17-6) represents a multifaceted compound with diverse applications in organic synthesis, antimicrobial research, and drug discovery. Recent studies have shed light on its mechanistic roles and potential benefits, though additional research is required to fully exploit its capabilities. As the scientific community continues to explore this compound, it is anticipated that new insights will emerge, further solidifying its importance in the chemical and biomedical sciences.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2986-17-6)N,N'-二異丙基硫脲
LE8215777;LE412
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:2986-17-6)N,N'-DIISOPROPYLTHIOUREA
sfd21753
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email