Benzoic acid, 2-(mercaptomethyl)-
TL;DR: Benzoic acid, 2-(mercaptomethyl)- (CAS 38335-14-7) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(sulfanylmethyl)benzoic acid
Also Known As: 2-(mercaptomethyl)-benzoic acid, 2-(mercaptomethyl)benzoic acid, 2-(sulfanylmethyl)benzoic Acid, Benzoic acid, 2-(mercaptomethyl)-
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.8146 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 270.5495 |
Chemical Identifiers
| CAS Number | 38335-14-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CS)C(=O)O |
Product Overview
Benzoic acid, 2-(mercaptomethyl)- (CAS 38335-14-7), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 2-(sulfanylmethyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(mercaptomethyl)-
Property Insights of Benzoic acid, 2-(mercaptomethyl)-
The XLogP value of 1.8146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(mercaptomethyl)-. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 2-(mercaptomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(mercaptomethyl)- has 2 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 Benzoic acid, 2-(mercaptomethyl)-?
The CAS number of Benzoic acid, 2-(mercaptomethyl)- is 38335-14-7.
What is the molecular formula of Benzoic acid, 2-(mercaptomethyl)-?
The molecular formula of Benzoic acid, 2-(mercaptomethyl)- is C8H8O2S.
What is the molecular weight of Benzoic acid, 2-(mercaptomethyl)-?
The molecular weight of Benzoic acid, 2-(mercaptomethyl)- is 168.02 g/mol.
Where can I buy Benzoic acid, 2-(mercaptomethyl)-?
You can request a quote for Benzoic acid, 2-(mercaptomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(mercaptomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(mercaptomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.