4-Methyl-2-mercaptobenzothiazole
TL;DR: 4-Methyl-2-mercaptobenzothiazole (CAS 2268-77-1) is a chemical compound with molecular formula C8H7NS2 and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3H-1,3-benzothiazole-2-thione
Also Known As: 4-Methylbenzo[d]thiazole-2(3H)-thione, 4-METHYL-2-MERCAPTOBENZOTHIAZOLE, 4-methyl-3H-1,3-benzothiazole-2-thione, 4-Methylbenzothiazole-2-thiol, 2(3H)-Benzothiazolethione, 4-methyl-
| Molecular Formula | C8H7NS2 |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 3.26731 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.002 |
| Heavy Atoms | 11 |
| Complexity | 438.53394 |
Chemical Identifiers
| CAS Number | 2268-77-1 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=S)N2 |
Product Overview
4-Methyl-2-mercaptobenzothiazole (CAS 2268-77-1), with molecular formula C8H7NS2 and molecular weight 181.00 g/mol. IUPAC: 4-methyl-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 4-Methyl-2-mercaptobenzothiazole
Property Insights of 4-Methyl-2-mercaptobenzothiazole
The XLogP value of 3.26731 indicates that 4-Methyl-2-mercaptobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 4-Methyl-2-mercaptobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-mercaptobenzothiazole has 1 hydrogen bond donor(s) and 2 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 4-Methyl-2-mercaptobenzothiazole?
The CAS number of 4-Methyl-2-mercaptobenzothiazole is 2268-77-1.
What is the molecular formula of 4-Methyl-2-mercaptobenzothiazole?
The molecular formula of 4-Methyl-2-mercaptobenzothiazole is C8H7NS2.
What is the molecular weight of 4-Methyl-2-mercaptobenzothiazole?
The molecular weight of 4-Methyl-2-mercaptobenzothiazole is 181.00 g/mol.
Where can I buy 4-Methyl-2-mercaptobenzothiazole?
You can request a quote for 4-Methyl-2-mercaptobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-mercaptobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-mercaptobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.