![N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide structure](/static/products/1170/117067-53-5.webp)
N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide
TL;DR: N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide (CAS 117067-53-5) is a chemical compound with molecular formula C19H22N4S and molecular weight 338.15652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(benzotriazol-1-yl)hexyl]benzenecarbothioamide
Also Known As: starbld0034897, N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide, N-[1-(benzotriazol-1-yl)hexyl]benzenecarbothioamide, N-(1-benzotriazol-1-ylhexyl)benzenecarbothioamide, N-(1-(1H-Benzo[d][1,2,3]triazol-1-yl)hexyl)benzothioamide
Technical Specifications
| Molecular Formula | C19H22N4S |
| Molecular Weight | 338.15652 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.15652 Da |
| Heavy Atoms | 24 |
| Complexity | 397.0 |
| SMILES | CCCCCC(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
| InChIKey | FBEMLILGZUTPBV-UHFFFAOYSA-N |
Chemical Property Profile of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide
Property Insights of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide
The XLogP value of 5.3 indicates that N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide. Following Lipinski's Rule of Five, N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide?
The CAS number of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide is 117067-53-5.
What is the molecular formula of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide?
The molecular formula of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide is C19H22N4S.
What is the molecular weight of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide?
The molecular weight of N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide is 338.15652 g/mol.
Where can I buy N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide?
You can request a quote for N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide?
Yes, CoreyChem provides custom synthesis services for N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.