6-Amino-2-mercaptobenzothiazole
TL;DR: 6-Amino-2-mercaptobenzothiazole (CAS 7442-07-1) 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.
6-amino-3H-1,3-benzothiazole-2-thione
Also Known As: 6-Amino-2-mercaptobenzothiazole, 6-Amino-1,3-benzothiazole-2-thiol, 6-Amino-2-benzothiazolethiol, 2(3H)-Benzothiazolethione, 6-amino-, USAF XR-30
| Molecular Formula | C7H6N2S2 |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 2.54109 |
| Topological Polar Surface Area | 41.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.99724 |
| Heavy Atoms | 11 |
| Complexity | 440.88245 |
Chemical Identifiers
| CAS Number | 7442-07-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)SC(=S)N2 |
Product Overview
6-Amino-2-mercaptobenzothiazole (CAS 7442-07-1), with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol. IUPAC: 6-amino-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 6-Amino-2-mercaptobenzothiazole
Property Insights of 6-Amino-2-mercaptobenzothiazole
The XLogP value of 2.54109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-2-mercaptobenzothiazole. With a topological polar surface area (TPSA) of 41.81 Ų, 6-Amino-2-mercaptobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Amino-2-mercaptobenzothiazole has 2 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 6-Amino-2-mercaptobenzothiazole?
The CAS number of 6-Amino-2-mercaptobenzothiazole is 7442-07-1.
What is the molecular formula of 6-Amino-2-mercaptobenzothiazole?
The molecular formula of 6-Amino-2-mercaptobenzothiazole is C7H6N2S2.
What is the molecular weight of 6-Amino-2-mercaptobenzothiazole?
The molecular weight of 6-Amino-2-mercaptobenzothiazole is 182.00 g/mol.
Where can I buy 6-Amino-2-mercaptobenzothiazole?
You can request a quote for 6-Amino-2-mercaptobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-2-mercaptobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-2-mercaptobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.