1H-Benzimidazole-2-carbothioamide, N-phenyl-
TL;DR: 1H-Benzimidazole-2-carbothioamide, N-phenyl- (CAS 90430-71-0) is a chemical compound with molecular formula C14H11N3S and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-1H-benzimidazole-2-carbothioamide
Also Known As: 1H-Benzimidazole-2-carbothioamide, N-phenyl-, N-phenyl-1H-benzimidazole-2-carbothioamide, benzimidazole-2-N-phenylcarbothioamide, J3.756.120G, AB00114088-01
| Molecular Formula | C14H11N3S |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.06737 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 90430-71-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2 |
| InChIKey | PUWVMUKHGOGMHL-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazole-2-carbothioamide, N-phenyl- (CAS 90430-71-0), with molecular formula C14H11N3S and molecular weight 253.07 g/mol. IUPAC: N-phenyl-1H-benzimidazole-2-carbothioamide.
Chemical Property Profile of 1H-Benzimidazole-2-carbothioamide, N-phenyl-
Property Insights of 1H-Benzimidazole-2-carbothioamide, N-phenyl-
The XLogP value of 3.3 indicates that 1H-Benzimidazole-2-carbothioamide, N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-2-carbothioamide, N-phenyl-. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-carbothioamide, N-phenyl- 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 1H-Benzimidazole-2-carbothioamide, N-phenyl-?
The CAS number of 1H-Benzimidazole-2-carbothioamide, N-phenyl- is 90430-71-0.
What is the molecular formula of 1H-Benzimidazole-2-carbothioamide, N-phenyl-?
The molecular formula of 1H-Benzimidazole-2-carbothioamide, N-phenyl- is C14H11N3S.
What is the molecular weight of 1H-Benzimidazole-2-carbothioamide, N-phenyl-?
The molecular weight of 1H-Benzimidazole-2-carbothioamide, N-phenyl- is 253.07 g/mol.
Where can I buy 1H-Benzimidazole-2-carbothioamide, N-phenyl-?
You can request a quote for 1H-Benzimidazole-2-carbothioamide, N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-2-carbothioamide, N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-carbothioamide, N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.