2-(1H-1,3-benzodiazol-2-yl)ethanethioamide
TL;DR: 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide (CAS 61689-98-3) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)ethanethioamide
Also Known As: 2-(1H-BENZO[D]IMIDAZOL-2-YL)ETHANETHIOAMIDE, 1H-Benzimidazole-2-ethanethioamide, 2-(1H-benzimidazol-2-yl)ethanethioamide, 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide, Benzimidazol-2-ylthioacetamide
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 1.3915 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 413.81146 |
Chemical Identifiers
| CAS Number | 61689-98-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CC(=S)N |
Product Overview
2-(1H-1,3-benzodiazol-2-yl)ethanethioamide (CAS 61689-98-3), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)ethanethioamide.
Chemical Property Profile of 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide
Property Insights of 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide
The XLogP value of 1.3915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide. With a topological polar surface area (TPSA) of 54.7 Ų, 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide 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 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide?
The CAS number of 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide is 61689-98-3.
What is the molecular formula of 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide?
The molecular formula of 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide is C9H9N3S.
What is the molecular weight of 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide?
The molecular weight of 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide is 191.05 g/mol.
Where can I buy 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide?
You can request a quote for 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,3-benzodiazol-2-yl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.