Carbamic acid, thio-2-benzimidazole, ethyl ester
TL;DR: Carbamic acid, thio-2-benzimidazole, ethyl ester (CAS 13404-88-1) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-(1H-benzimidazol-2-yl)carbamothioate
Also Known As: Carbamic acid, thio-2-benzimidazole, ethyl ester, O-Ethyl 1H-benzimidazol-2-ylcarbamothioate, O-ethyl N-(1H-benzimidazol-2-yl)carbamothioate, Carbamothioic acid, 1H-benzimidazol-2-yl-, O-ethyl ester
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.2962 |
| Topological Polar Surface Area | 49.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 447.22717 |
Chemical Identifiers
| CAS Number | 13404-88-1 |
|---|---|
| SMILES | CCOC(=S)NC1=NC2=CC=CC=C2N1 |
Product Overview
Carbamic acid, thio-2-benzimidazole, ethyl ester (CAS 13404-88-1), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: O-ethyl N-(1H-benzimidazol-2-yl)carbamothioate.
Chemical Property Profile of Carbamic acid, thio-2-benzimidazole, ethyl ester
Property Insights of Carbamic acid, thio-2-benzimidazole, ethyl ester
The XLogP value of 2.2962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, thio-2-benzimidazole, ethyl ester. With a topological polar surface area (TPSA) of 49.94 Ų, Carbamic acid, thio-2-benzimidazole, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, thio-2-benzimidazole, ethyl ester has 2 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 Carbamic acid, thio-2-benzimidazole, ethyl ester?
The CAS number of Carbamic acid, thio-2-benzimidazole, ethyl ester is 13404-88-1.
What is the molecular formula of Carbamic acid, thio-2-benzimidazole, ethyl ester?
The molecular formula of Carbamic acid, thio-2-benzimidazole, ethyl ester is C10H11N3OS.
What is the molecular weight of Carbamic acid, thio-2-benzimidazole, ethyl ester?
The molecular weight of Carbamic acid, thio-2-benzimidazole, ethyl ester is 221.06 g/mol.
Where can I buy Carbamic acid, thio-2-benzimidazole, ethyl ester?
You can request a quote for Carbamic acid, thio-2-benzimidazole, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, thio-2-benzimidazole, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, thio-2-benzimidazole, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.