(2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone
TL;DR: (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone (CAS 92685-57-9) is a chemical compound with molecular formula C14H10N2OS and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone
Also Known As: (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone, (2-Mercapto-1H-benzo[d]imidazol-6-yl)(phenyl)methanone, 6-benzoyl-1H-1,3-benzodiazole-2-thiol, phenyl 2-sulfanylbenzimidazol-5-yl ketone, methanone, (2-mercapto-1H-benzimidazol-6-yl)phenyl-
| Molecular Formula | C14H10N2OS |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 3.45649 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.05139 |
| Heavy Atoms | 18 |
| Complexity | 771.09326 |
Chemical Identifiers
| CAS Number | 92685-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=S)N3 |
Product Overview
(2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone (CAS 92685-57-9), with molecular formula C14H10N2OS and molecular weight 254.05 g/mol. IUPAC: phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone.
Chemical Property Profile of (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone
Property Insights of (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone
The XLogP value of 3.45649 indicates that (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.65 Ų, (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone 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-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone?
The CAS number of (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone is 92685-57-9.
What is the molecular formula of (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone?
The molecular formula of (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone is C14H10N2OS.
What is the molecular weight of (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone?
The molecular weight of (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone is 254.05 g/mol.
Where can I buy (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone?
You can request a quote for (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.