Benzo(b)thiophene-3-methanethiol
TL;DR: Benzo(b)thiophene-3-methanethiol (CAS 32259-23-7) is a chemical compound with molecular formula C9H8S2 and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophen-3-ylmethanethiol
Also Known As: Benzo[b]thiophene-3-methanethiol, 1-benzothiophen-3-ylmethanethiol, benzo[b]thiophen-3-ylmethanethiol, (1-benzothiophen-3-yl)methanethiol, 1-mercaptomethylthianaphthene
| Molecular Formula | C9H8S2 |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 3.3311 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.00674 |
| Heavy Atoms | 11 |
| Complexity | 362.35516 |
Chemical Identifiers
| CAS Number | 32259-23-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)CS |
Product Overview
Benzo(b)thiophene-3-methanethiol (CAS 32259-23-7), with molecular formula C9H8S2 and molecular weight 180.01 g/mol. IUPAC: 1-benzothiophen-3-ylmethanethiol.
Chemical Property Profile of Benzo(b)thiophene-3-methanethiol
Property Insights of Benzo(b)thiophene-3-methanethiol
The XLogP value of 3.3311 indicates that Benzo(b)thiophene-3-methanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzo(b)thiophene-3-methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-methanethiol 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 Benzo(b)thiophene-3-methanethiol?
The CAS number of Benzo(b)thiophene-3-methanethiol is 32259-23-7.
What is the molecular formula of Benzo(b)thiophene-3-methanethiol?
The molecular formula of Benzo(b)thiophene-3-methanethiol is C9H8S2.
What is the molecular weight of Benzo(b)thiophene-3-methanethiol?
The molecular weight of Benzo(b)thiophene-3-methanethiol is 180.01 g/mol.
Where can I buy Benzo(b)thiophene-3-methanethiol?
You can request a quote for Benzo(b)thiophene-3-methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-methanethiol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.