(1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol
TL;DR: (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol (CAS 792124-22-2) 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-methylbenzimidazol-2-yl)methanethiol
Also Known As: (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol, (1-methylbenzimidazol-2-yl)methanethiol, 1H-Benzimidazole-2-methanethiol, 1-methyl-
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 792124-22-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1CS |
| InChIKey | WTIIKHXCQOVGKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol (CAS 792124-22-2), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: (1-methylbenzimidazol-2-yl)methanethiol.
Chemical Property Profile of (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol
Property Insights of (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol. With a topological polar surface area (TPSA) of 18.8 Ų, (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol has 1 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-methyl-1H-1,3-benzodiazol-2-yl)methanethiol?
The CAS number of (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol is 792124-22-2.
What is the molecular formula of (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol?
The molecular formula of (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol is C9H10N2S.
What is the molecular weight of (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol?
The molecular weight of (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol is 178.06 g/mol.
Where can I buy (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol?
You can request a quote for (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (1-methyl-1H-1,3-benzodiazol-2-yl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.