2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid
TL;DR: 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid (CAS 6310-59-4) is a chemical compound with molecular formula C9H7ClN2O2S and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Also Known As: lactulose, [(5-chloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid, 2-((5-Chloro-1H-benzo[d]imidazol-2-yl)thio)acetic acid, BAS 00631322, 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
| Molecular Formula | C9H7ClN2O2S |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.99167 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 6310-59-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=N2)SCC(=O)O |
| InChIKey | GBMGBPADBDLEKL-UHFFFAOYSA-N |
Product Overview
2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid (CAS 6310-59-4), with molecular formula C9H7ClN2O2S and molecular weight 241.99 g/mol. IUPAC: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid
Property Insights of 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid has 2 hydrogen bond donor(s) and 4 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 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid?
The CAS number of 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid is 6310-59-4.
What is the molecular formula of 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid?
The molecular formula of 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid is C9H7ClN2O2S.
What is the molecular weight of 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid?
The molecular weight of 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid is 241.99 g/mol.
Where can I buy 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid?
You can request a quote for 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.