N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide
TL;DR: N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide (CAS 117067-55-7) is a chemical compound with molecular formula C14H12N4S and molecular weight 268.07828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(benzotriazol-1-ylmethyl)benzenecarbothioamide
Also Known As: starbld0014606, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide, N-(benzotriazol-1-ylmethyl)benzenecarbothioamide, N-(benzotriazol-1-ylmethyl)thiobenzamide, n-(1h-benzotriazol-1-ylmethyl)thiobenzamide
Technical Specifications
| Molecular Formula | C14H12N4S |
| Molecular Weight | 268.07828 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07828 Da |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
| SMILES | C1=CC=C(C=C1)C(=S)NCN2C3=CC=CC=C3N=N2 |
| InChIKey | AUHNBLJMRILWTN-UHFFFAOYSA-N |
Chemical Property Profile of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide
Property Insights of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide. Following Lipinski's Rule of Five, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide 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
What is the CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide?
The CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide is 117067-55-7.
What is the molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide?
The molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide is C14H12N4S.
What is the molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide?
The molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide is 268.07828 g/mol.
Where can I buy N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide?
You can request a quote for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide?
Yes, CoreyChem provides custom synthesis services for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.