1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide
TL;DR: 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide (CAS 3176-72-5) is a chemical compound with molecular formula C14H12N2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylsulfanylmethyl)-1H-benzimidazole
Also Known As: Bionet2_000710, phenylsulfanylmethylbenzimidazole, (benzimidazol-2-ylmethylthio)benzene, 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide, 1H-benzimidazol-2-ylmethyl phenyl sulfide
| Molecular Formula | C14H12N2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.8552 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07211 |
| Heavy Atoms | 17 |
| Complexity | 583.2133 |
Chemical Identifiers
| CAS Number | 3176-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=NC3=CC=CC=C3N2 |
Product Overview
1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide (CAS 3176-72-5), with molecular formula C14H12N2S and molecular weight 240.07 g/mol. IUPAC: 2-(phenylsulfanylmethyl)-1H-benzimidazole.
Chemical Property Profile of 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide
Property Insights of 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide
The XLogP value of 3.8552 indicates that 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide 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 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide?
The CAS number of 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide is 3176-72-5.
What is the molecular formula of 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide?
The molecular formula of 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide is C14H12N2S.
What is the molecular weight of 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide?
The molecular weight of 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide is 240.07 g/mol.
Where can I buy 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide?
You can request a quote for 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.