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Benzoic acid, 2-[(2-thienylthio)methyl]-
TL;DR: Benzoic acid, 2-[(2-thienylthio)methyl]- (CAS 1211-23-0) is a chemical compound with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophen-2-ylsulfanylmethyl)benzoic acid
Also Known As: Benzoic acid, 2-[(2-thienylthio)methyl]-, 2-(thiophen-2-ylsulfanylmethyl)benzoic Acid, benzoic acid,2-[(2-thienylthio)methyl]-, 2-[(2-thienylsulfanyl)methyl]benzoic acid, 2-thiophen-2-ylsulfanylmethyl-benzoic acid
| Molecular Formula | C12H10O2S2 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 3.7386 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.01222 |
| Heavy Atoms | 16 |
| Complexity | 477.5238 |
Chemical Identifiers
| CAS Number | 1211-23-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=CC=CS2)C(=O)O |
Product Overview
Benzoic acid, 2-[(2-thienylthio)methyl]- (CAS 1211-23-0), with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol. IUPAC: 2-(thiophen-2-ylsulfanylmethyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-[(2-thienylthio)methyl]-
Property Insights of Benzoic acid, 2-[(2-thienylthio)methyl]-
The XLogP value of 3.7386 indicates that Benzoic acid, 2-[(2-thienylthio)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 2-[(2-thienylthio)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[(2-thienylthio)methyl]- has 1 hydrogen bond donor(s) and 3 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-[(2-thienylthio)methyl]-?
The CAS number of Benzoic acid, 2-[(2-thienylthio)methyl]- is 1211-23-0.
What is the molecular formula of Benzoic acid, 2-[(2-thienylthio)methyl]-?
The molecular formula of Benzoic acid, 2-[(2-thienylthio)methyl]- is C12H10O2S2.
What is the molecular weight of Benzoic acid, 2-[(2-thienylthio)methyl]-?
The molecular weight of Benzoic acid, 2-[(2-thienylthio)methyl]- is 250.01 g/mol.
Where can I buy Benzoic acid, 2-[(2-thienylthio)methyl]-?
You can request a quote for Benzoic acid, 2-[(2-thienylthio)methyl]- 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-[(2-thienylthio)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(2-thienylthio)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.