(2-苯并咪唑基硫基)乙酸
TL;DR: (2-苯并咪唑基硫基)乙酸 (CAS 3042-00-0) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-苯并咪唑基硫基)乙酸
2-(1H-benzimidazol-2-ylsulfanyl)acetic acid
Also Known As: aceticacid, (2-Benzimidazolythio)acetic acid, (2-Benzimidazolylthio)-acetic acid, (2-BENZIMIDAZOLYLTHIO)ACETIC ACID, (1H-benzimidazol-2-ylthio)acetic acid
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 3042-00-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)O |
| InChIKey | UYNVBLJQBCTRKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-苯并咪唑基硫基)乙酸 (CAS 3042-00-0), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid.
Chemical Property Profile of (2-苯并咪唑基硫基)乙酸
Property Insights of (2-苯并咪唑基硫基)乙酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-苯并咪唑基硫基)乙酸. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-苯并咪唑基硫基)乙酸. Following Lipinski's Rule of Five, (2-苯并咪唑基硫基)乙酸 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-苯并咪唑基硫基)乙酸?
The CAS number of (2-苯并咪唑基硫基)乙酸 is 3042-00-0.
What is the molecular formula of (2-苯并咪唑基硫基)乙酸?
The molecular formula of (2-苯并咪唑基硫基)乙酸 is C9H8N2O2S.
What is the molecular weight of (2-苯并咪唑基硫基)乙酸?
The molecular weight of (2-苯并咪唑基硫基)乙酸 is 208.03 g/mol.
Where can I buy (2-苯并咪唑基硫基)乙酸?
You can request a quote for (2-苯并咪唑基硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-苯并咪唑基硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (2-苯并咪唑基硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.