Cas no 3084-25-1 (1,3-bis(hydroxymethyl)thiourea)

1,3-bis(hydroxymethyl)thiourea structure
3084-25-1 structure
Product Name:1,3-bis(hydroxymethyl)thiourea
CAS No:3084-25-1
MF:C3H8N2O2S
MW:136.172819137573
MDL:MFCD00210271
CID:309124
PubChem ID:3034137
Update Time:2025-07-20

1,3-bis(hydroxymethyl)thiourea Chemical and Physical Properties

Names and Identifiers

    • Thiourea,N,N'-bis(hydroxymethyl)-
    • DIMETHYLOLTHIOUREA
    • 1,3-(bis(hydroxymethyl))thiourea
    • 1,3-bis(hydroxymethyl)-2-thio-ure
    • Dimethylolthioharnstoff
    • Dimethylothioharnstoff
    • Einecs 221-389-5
    • N,N'-Bis-hydroxy-methyl-thioharnstoff
    • N,N'-bis-hydroxymethyl-thiourea
    • Thiourea,N,N'-bis(hydroxymethyl)
    • Urea,1,3-bis(hydroxymethyl)-2-thio
    • USAF B-74
    • 1,3-dimethylolthiourea
    • 1,3-bis(hydroxymethyl)thiourea
    • BRN 1721941
    • 4-03-00-00353 (Beilstein Handbook Reference)
    • N,N'-Bis(hydroxymethyl)thiourea
    • Thiourea, N,N'-bis(hydroxymethyl)-
    • DTXSID1062837
    • AKOS005622506
    • EN300-216143
    • 3084-25-1
    • VS-02830
    • Urea, 1,3-bis(hydroxymethyl)-2-thio-
    • SCHEMBL942187
    • CS-0355672
    • NS00028974
    • Q26840780
    • MDL: MFCD00210271
    • Inchi: 1S/C3H8N2O2S/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8)
    • InChI Key: ORGWCTHQVYSUNL-UHFFFAOYSA-N
    • SMILES: S=C(NCO)NCO

Computed Properties

  • Exact Mass: 136.03100
  • Monoisotopic Mass: 136.030648
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 69.7
  • 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: 96.6

Experimental Properties

  • Color/Form: Not available
  • Density: 1.238 (estimate)
  • Boiling Point: 286.2°Cat760mmHg
  • Flash Point: 126.9°C
  • Refractive Index: 1.7000 (estimate)
  • PSA: 96.61000
  • LogP: -0.86810
  • Solubility: Not available

1,3-bis(hydroxymethyl)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%

1,3-bis(hydroxymethyl)thiourea Pricemore >>

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Additional information on 1,3-bis(hydroxymethyl)thiourea

Recent Advances in the Study of 1,3-bis(hydroxymethyl)thiourea (CAS: 3084-25-1): Applications and Mechanisms in Chemical Biology and Medicine

1,3-bis(hydroxymethyl)thiourea (CAS: 3084-25-1) is a thiourea derivative that has garnered significant attention in chemical biology and pharmaceutical research due to its versatile applications. Recent studies have explored its role as a crosslinking agent, antimicrobial compound, and potential therapeutic agent. This research brief synthesizes the latest findings on this compound, focusing on its molecular mechanisms, synthetic applications, and biological activities.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated that 1,3-bis(hydroxymethyl)thiourea exhibits potent antimicrobial properties against drug-resistant bacterial strains. The research team employed molecular docking simulations to elucidate its binding affinity with bacterial enzymes, revealing a unique mechanism of action that disrupts cell wall synthesis. These findings suggest its potential as a lead compound for developing novel antibiotics.

In materials science, researchers have utilized 1,3-bis(hydroxymethyl)thiourea as a key component in polymer synthesis. A recent ACS Applied Materials & Interfaces publication (2024) highlighted its effectiveness as a crosslinker for producing hydrogels with enhanced mechanical properties and biocompatibility. The study reported a 40% improvement in tensile strength compared to conventional crosslinkers, making it particularly valuable for biomedical applications such as wound dressings and drug delivery systems.

Pharmacokinetic studies conducted in 2024 have provided new insights into the compound's metabolic pathways. Using LC-MS/MS techniques, researchers identified three primary metabolites and characterized their biological activities. Interestingly, one metabolite showed enhanced anti-inflammatory effects compared to the parent compound, opening new avenues for drug development. These findings were published in Drug Metabolism and Disposition.

The compound's safety profile has been systematically evaluated in recent preclinical trials. A comprehensive toxicology study (2023) using rodent models established an LD50 of 1,250 mg/kg, with no observed genotoxic effects at therapeutic doses. However, researchers noted dose-dependent hepatotoxicity at concentrations above 500 mg/kg, emphasizing the need for careful dosage optimization in therapeutic applications.

Emerging research suggests potential anticancer applications of 1,3-bis(hydroxymethyl)thiourea derivatives. A 2024 Nature Communications paper reported that structurally modified analogs demonstrated selective cytotoxicity against triple-negative breast cancer cells while sparing normal cells. The proposed mechanism involves inhibition of thioredoxin reductase, a key enzyme in cancer cell redox homeostasis.

Future research directions include optimizing the compound's physicochemical properties for enhanced bioavailability and exploring its combination with other therapeutic agents. Several pharmaceutical companies have included 1,3-bis(hydroxymethyl)thiourea derivatives in their preclinical pipelines, indicating growing industry interest in this versatile chemical entity.

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