(2-Bromophenyl)methanethiol
TL;DR: (2-Bromophenyl)methanethiol (CAS 143888-85-1) is a chemical compound with molecular formula C7H7BrS and molecular weight 201.94518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-bromophenyl)methanethiol
Also Known As: 2-Bromobenzyl mercaptan, 2-Bromobenzylmercaptan, (2-bromophenyl)methanethiol, 2-bromobenzylthiol, Benzenemethanethiol, 2-bromo-
Technical Specifications
| Molecular Formula | C7H7BrS |
| Molecular Weight | 201.94518 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.94518 Da |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| SMILES | C1=CC=C(C(=C1)CS)Br |
| InChIKey | UJNSDLRPHRMVGZ-UHFFFAOYSA-N |
Chemical Property Profile of (2-Bromophenyl)methanethiol
Property Insights of (2-Bromophenyl)methanethiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Bromophenyl)methanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, (2-Bromophenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-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
What is the CAS number of (2-Bromophenyl)methanethiol?
The CAS number of (2-Bromophenyl)methanethiol is 143888-85-1.
What is the molecular formula of (2-Bromophenyl)methanethiol?
The molecular formula of (2-Bromophenyl)methanethiol is C7H7BrS.
What is the molecular weight of (2-Bromophenyl)methanethiol?
The molecular weight of (2-Bromophenyl)methanethiol is 201.94518 g/mol.
Where can I buy (2-Bromophenyl)methanethiol?
You can request a quote for (2-Bromophenyl)methanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Bromophenyl)methanethiol?
Yes, CoreyChem provides custom synthesis services for (2-Bromophenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.