4-(1H-Imidazol-1-yl)benzenecarbothioamide
TL;DR: 4-(1H-Imidazol-1-yl)benzenecarbothioamide (CAS 423769-74-8) is a chemical compound with molecular formula C10H9N3S and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imidazol-1-ylbenzenecarbothioamide
Also Known As: 4-(1H-Imidazol-1-yl)benzenecarbothioamide, 4-(1H-Imidazol-1-yl)benzothioamide, 4-imidazol-1-ylbenzenecarbothioamide, 4- BENZENECARBOTHIOAMIDE, 4-(imidazol-1-yl)benzenecarbothioamide
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 1.5065 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 430.90048 |
Chemical Identifiers
| CAS Number | 423769-74-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=S)N)N2C=CN=C2 |
Product Overview
4-(1H-Imidazol-1-yl)benzenecarbothioamide (CAS 423769-74-8), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 4-imidazol-1-ylbenzenecarbothioamide.
Chemical Property Profile of 4-(1H-Imidazol-1-yl)benzenecarbothioamide
Property Insights of 4-(1H-Imidazol-1-yl)benzenecarbothioamide
The XLogP value of 1.5065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-Imidazol-1-yl)benzenecarbothioamide. With a topological polar surface area (TPSA) of 43.84 Ų, 4-(1H-Imidazol-1-yl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-Imidazol-1-yl)benzenecarbothioamide 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 4-(1H-Imidazol-1-yl)benzenecarbothioamide?
The CAS number of 4-(1H-Imidazol-1-yl)benzenecarbothioamide is 423769-74-8.
What is the molecular formula of 4-(1H-Imidazol-1-yl)benzenecarbothioamide?
The molecular formula of 4-(1H-Imidazol-1-yl)benzenecarbothioamide is C10H9N3S.
What is the molecular weight of 4-(1H-Imidazol-1-yl)benzenecarbothioamide?
The molecular weight of 4-(1H-Imidazol-1-yl)benzenecarbothioamide is 203.05 g/mol.
Where can I buy 4-(1H-Imidazol-1-yl)benzenecarbothioamide?
You can request a quote for 4-(1H-Imidazol-1-yl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-Imidazol-1-yl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Imidazol-1-yl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.