N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide
TL;DR: N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide (CAS 690634-07-2) is a chemical compound with molecular formula C10H7N5S2 and molecular weight 261.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide
Also Known As: N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide, N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide, N-(1,3-Thiazol-2-yl)-1H-1,2,3-benzotriazole-1-carbothioamide, 1H-BENZOTRIAZOLE-1-CARBOTHIOAMIDE, N-2-THIAZOLYL-, N-thiazol-2-ylbenzotriazole-1-carbothioamide
| Molecular Formula | C10H7N5S2 |
|---|---|
| Molecular Weight | 261.01 g/mol |
| LogP | 2.1329 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.01428 |
| Heavy Atoms | 17 |
| Complexity | 658.2094 |
Chemical Identifiers
| CAS Number | 690634-07-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=S)NC3=NC=CS3 |
Product Overview
N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide (CAS 690634-07-2), with molecular formula C10H7N5S2 and molecular weight 261.01 g/mol. IUPAC: N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide.
Chemical Property Profile of N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide
Property Insights of N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide
The XLogP value of 2.1329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide. With a topological polar surface area (TPSA) of 55.63 Ų, N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide has 1 hydrogen bond donor(s) and 5 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-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide?
The CAS number of N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide is 690634-07-2.
What is the molecular formula of N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide?
The molecular formula of N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide is C10H7N5S2.
What is the molecular weight of N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide?
The molecular weight of N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide is 261.01 g/mol.
Where can I buy N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide?
You can request a quote for N-(2-Thiazolyl)-1H-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-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.