N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide
TL;DR: N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide (CAS 24694-06-2) is a chemical compound with molecular formula C13H10N4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylbenzotriazole-1-carbothioamide
Also Known As: N-phenylbenzotriazole-1-carbothioamide, N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide, N-Phenyl-1H-benzotriazole-1-carbothioamide, benzotriazolyl(phenylamino)methane-1-thione, J2.667.275I
| Molecular Formula | C13H10N4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 2.6764 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.06262 |
| Heavy Atoms | 18 |
| Complexity | 690.2924 |
Chemical Identifiers
| CAS Number | 24694-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)N2C3=CC=CC=C3N=N2 |
Product Overview
N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide (CAS 24694-06-2), with molecular formula C13H10N4S and molecular weight 254.06 g/mol. IUPAC: N-phenylbenzotriazole-1-carbothioamide.
Chemical Property Profile of N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide
Property Insights of N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide
The XLogP value of 2.6764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide. With a topological polar surface area (TPSA) of 42.74 Ų, N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide has 1 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 N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
The CAS number of N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide is 24694-06-2.
What is the molecular formula of N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
The molecular formula of N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide is C13H10N4S.
What is the molecular weight of N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
The molecular weight of N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide is 254.06 g/mol.
Where can I buy N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
You can request a quote for N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.