Sulfiram
TL;DR: Sulfiram (CAS 95-05-6) is a chemical compound with molecular formula C10H20N2S3 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethylcarbamothioyl N,N-diethylcarbamodithioate
Also Known As: SULFIRAM, Monosulfiram, Sulfirame, Tetmosol, Sulfiramum
| Molecular Formula | C10H20N2S3 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.07886 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 95-05-6 |
|---|---|
| SMILES | CCN(CC)C(=S)SC(=S)N(CC)CC |
| InChIKey | CTPKSRZFJSJGML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfiram (CAS 95-05-6), with molecular formula C10H20N2S3 and molecular weight 264.08 g/mol. IUPAC: diethylcarbamothioyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Sulfiram
Property Insights of Sulfiram
The XLogP value of 3.1 indicates that Sulfiram is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfiram. Following Lipinski's Rule of Five, Sulfiram has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfiram?
The CAS number of Sulfiram is 95-05-6.
What is the molecular formula of Sulfiram?
The molecular formula of Sulfiram is C10H20N2S3.
What is the molecular weight of Sulfiram?
The molecular weight of Sulfiram is 264.08 g/mol.
Where can I buy Sulfiram?
You can request a quote for Sulfiram directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfiram?
Yes, KEHONG BIO provides custom synthesis services for Sulfiram and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.