1,3,4-Thiadiazole-2-thiol
TL;DR: 1,3,4-Thiadiazole-2-thiol (CAS 18686-82-3) is a chemical compound with molecular formula C2H2N2S2 and molecular weight 117.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,3,4-thiadiazole-2-thione
Also Known As: 1,3,4-thiadiazole-2-thiol, 2-mercapto-1,3,4-thiadiazole, Ambroxol Base, 1,3,4-Thiadiazole-2(3H)-thione, 2-MERCAPTO-1,3,4-THIADIAZOL
| Molecular Formula | C2H2N2S2 |
|---|---|
| Molecular Weight | 117.97 g/mol |
| LogP | 1.20069 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.96594 |
| Heavy Atoms | 6 |
| Complexity | 147.31094 |
Chemical Identifiers
| CAS Number | 18686-82-3 |
|---|---|
| SMILES | C1=NNC(=S)S1 |
Product Overview
1,3,4-Thiadiazole-2-thiol (CAS 18686-82-3), with molecular formula C2H2N2S2 and molecular weight 117.97 g/mol. IUPAC: 3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 1,3,4-Thiadiazole-2-thiol
Property Insights of 1,3,4-Thiadiazole-2-thiol
The XLogP value of 1.20069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 28.68 Ų, 1,3,4-Thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole-2-thiol has 1 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 1,3,4-Thiadiazole-2-thiol?
The CAS number of 1,3,4-Thiadiazole-2-thiol is 18686-82-3.
What is the molecular formula of 1,3,4-Thiadiazole-2-thiol?
The molecular formula of 1,3,4-Thiadiazole-2-thiol is C2H2N2S2.
What is the molecular weight of 1,3,4-Thiadiazole-2-thiol?
The molecular weight of 1,3,4-Thiadiazole-2-thiol is 117.97 g/mol.
Where can I buy 1,3,4-Thiadiazole-2-thiol?
You can request a quote for 1,3,4-Thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.