2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline
TL;DR: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline (CAS 69104-73-0) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)aniline
Also Known As: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline, 2-(1H-benzimidazol-2-ylsulfanyl)aniline, 2-(1H-benzimidazol-2-yl thio)benzenamine, 2-((1H-Benzo[d]imidazol-2-yl)thio)aniline, 2-(1H-benzimidazol-2-ylthio)aniline hydrochloride
| Molecular Formula | C13H11N3S |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 3.2963 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.06737 |
| Heavy Atoms | 17 |
| Complexity | 627.32825 |
Chemical Identifiers
| CAS Number | 69104-73-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC2=NC3=CC=CC=C3N2 |
Product Overview
2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline (CAS 69104-73-0), with molecular formula C13H11N3S and molecular weight 241.07 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)aniline.
Chemical Property Profile of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline
Property Insights of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline
The XLogP value of 3.2963 indicates that 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline has 2 hydrogen bond donor(s) and 3 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-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline?
The CAS number of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline is 69104-73-0.
What is the molecular formula of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline?
The molecular formula of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline is C13H11N3S.
What is the molecular weight of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline?
The molecular weight of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline is 241.07 g/mol.
Where can I buy 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline?
You can request a quote for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.