2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol
TL;DR: 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol (CAS 71605-75-9) is a chemical compound with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazol-4-ylmethanethiol
Also Known As: 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol, 2,1,3-Benzothiadiazole-4-methanethiol, (2,1,3-Benzothiadiazol-4-yl)methanethiol, benzo[1,2,5]thiadiazol-4-yl-methanethiol, 2,1,3-Benzothiadiazole-SIV-4-methanethiol
| Molecular Formula | C7H6N2S2 |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 2.1211 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.99724 |
| Heavy Atoms | 11 |
| Complexity | 369.233 |
Chemical Identifiers
| CAS Number | 71605-75-9 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)CS |
Product Overview
2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol (CAS 71605-75-9), with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol. IUPAC: 2,1,3-benzothiadiazol-4-ylmethanethiol.
Chemical Property Profile of 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol
Property Insights of 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol
The XLogP value of 2.1211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol. With a topological polar surface area (TPSA) of 25.78 Ų, 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol has 1 hydrogen bond donor(s) and 4 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 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol?
The CAS number of 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol is 71605-75-9.
What is the molecular formula of 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol?
The molecular formula of 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol is C7H6N2S2.
What is the molecular weight of 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol?
The molecular weight of 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol is 182.00 g/mol.
Where can I buy 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol?
You can request a quote for 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.