1-(1H-benzimidazol-2-yl)ethanethiol
TL;DR: 1-(1H-benzimidazol-2-yl)ethanethiol (CAS 3176-70-3) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-benzimidazol-2-yl)ethanethiol
Also Known As: 1-(1H-benzimidazol-2-yl)ethanethiol, 1-(1H-benzoimidazol-2-yl)ethanethiol, 1-(1H-benzo[d]imidazol-2-yl)ethanethiol, 1-(1H-Benzimidazole-2-yl)ethanethiol, 1-(1H-benzoimidazol-2-yl)-ethanethiol
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 3176-70-3 |
|---|---|
| SMILES | CC(C1=NC2=CC=CC=C2N1)S |
| InChIKey | JDXDRQWXIBJNTC-UHFFFAOYSA-N |
Product Overview
1-(1H-benzimidazol-2-yl)ethanethiol (CAS 3176-70-3), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 1-(1H-benzimidazol-2-yl)ethanethiol.
Chemical Property Profile of 1-(1H-benzimidazol-2-yl)ethanethiol
Property Insights of 1-(1H-benzimidazol-2-yl)ethanethiol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-benzimidazol-2-yl)ethanethiol. With a topological polar surface area (TPSA) of 29.7 Ų, 1-(1H-benzimidazol-2-yl)ethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-benzimidazol-2-yl)ethanethiol 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 1-(1H-benzimidazol-2-yl)ethanethiol?
The CAS number of 1-(1H-benzimidazol-2-yl)ethanethiol is 3176-70-3.
What is the molecular formula of 1-(1H-benzimidazol-2-yl)ethanethiol?
The molecular formula of 1-(1H-benzimidazol-2-yl)ethanethiol is C9H10N2S.
What is the molecular weight of 1-(1H-benzimidazol-2-yl)ethanethiol?
The molecular weight of 1-(1H-benzimidazol-2-yl)ethanethiol is 178.06 g/mol.
Where can I buy 1-(1H-benzimidazol-2-yl)ethanethiol?
You can request a quote for 1-(1H-benzimidazol-2-yl)ethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-benzimidazol-2-yl)ethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-benzimidazol-2-yl)ethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.