5,6-二甲基-1H-苯并咪唑-2-甲硫醇
TL;DR: 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 (CAS 73688-72-9) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-二甲基-1H-苯并咪唑-2-甲硫醇
(5,6-dimethyl-1H-benzimidazol-2-yl)methanethiol
Also Known As: 5,6-Dimethyl-2-mercaptomethylbenzimidazole, Benzimidazole-2-methanethiol, 5,6-dimethyl-, 1H-Benzimidazole-2-methanethiol, 5,6-dimethyl-, BENZIMIDAZOLE, 5,6-DIMETHYL-2-MERCAPTOMETHYL-, 5,6-Dimethyl-1H-benzimidazole-2-methanethiol
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 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 | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 73688-72-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(N2)CS |
| InChIKey | PXPXXPJORACKKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-二甲基-1H-苯并咪唑-2-甲硫醇 (CAS 73688-72-9), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: (5,6-dimethyl-1H-benzimidazol-2-yl)methanethiol.
Chemical Property Profile of 5,6-二甲基-1H-苯并咪唑-2-甲硫醇
Property Insights of 5,6-二甲基-1H-苯并咪唑-2-甲硫醇
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-二甲基-1H-苯并咪唑-2-甲硫醇. With a topological polar surface area (TPSA) of 29.7 Ų, 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 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 5,6-二甲基-1H-苯并咪唑-2-甲硫醇?
The CAS number of 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 is 73688-72-9.
What is the molecular formula of 5,6-二甲基-1H-苯并咪唑-2-甲硫醇?
The molecular formula of 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 is C10H12N2S.
What is the molecular weight of 5,6-二甲基-1H-苯并咪唑-2-甲硫醇?
The molecular weight of 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 is 192.07 g/mol.
Where can I buy 5,6-二甲基-1H-苯并咪唑-2-甲硫醇?
You can request a quote for 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-二甲基-1H-苯并咪唑-2-甲硫醇?
Yes, KEHONG BIO provides custom synthesis services for 5,6-二甲基-1H-苯并咪唑-2-甲硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.