(3-Bromophenyl)methanethiol
TL;DR: (3-Bromophenyl)methanethiol (CAS 886497-84-3) is a chemical compound with molecular formula C7H7BrS and molecular weight 201.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)methanethiol
Also Known As: 3-Bromobenzylmercaptan, (3-bromophenyl)methanethiol, 3-bromobenzyl mercaptan, Not Available, 3-Bromo-alpha-toluenethiol
| Molecular Formula | C7H7BrS |
|---|---|
| Molecular Weight | 201.95 g/mol |
| LogP | 2.8789 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.94518 |
| Heavy Atoms | 9 |
| Complexity | 197.86256 |
Chemical Identifiers
| CAS Number | 886497-84-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CS |
Product Overview
(3-Bromophenyl)methanethiol (CAS 886497-84-3), with molecular formula C7H7BrS and molecular weight 201.95 g/mol. IUPAC: (3-bromophenyl)methanethiol.
Chemical Property Profile of (3-Bromophenyl)methanethiol
Property Insights of (3-Bromophenyl)methanethiol
The XLogP value of 2.8789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Bromophenyl)methanethiol. With a topological polar surface area (TPSA) of 0.0 Ų, (3-Bromophenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromophenyl)methanethiol has 1 hydrogen bond donor(s) and 1 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 (3-Bromophenyl)methanethiol?
The CAS number of (3-Bromophenyl)methanethiol is 886497-84-3.
What is the molecular formula of (3-Bromophenyl)methanethiol?
The molecular formula of (3-Bromophenyl)methanethiol is C7H7BrS.
What is the molecular weight of (3-Bromophenyl)methanethiol?
The molecular weight of (3-Bromophenyl)methanethiol is 201.95 g/mol.
Where can I buy (3-Bromophenyl)methanethiol?
You can request a quote for (3-Bromophenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Bromophenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromophenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.