![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 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C19H22N4S |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 4.4755 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.15652 |
| Heavy Atoms | 24 |
| Complexity | 797.2467 |
Chemical Identifiers
| CAS Number | 117067-53-5 |
|---|---|
| SMILES | CCCCCC(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
Product Overview
N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide (CAS 117067-53-5), with molecular formula C19H22N4S and molecular weight 338.16 g/mol. IUPAC: N-[1-(benzotriazol-1-yl)hexyl]benzenecarbothioamide.
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 4.4755 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. With a topological polar surface area (TPSA) of 42.74 Ų, N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 338.16 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1H-1,2,3-Benzotriazol-1-yl)hexyl]benzenecarbothioamide?
Yes, KEHONG BIO 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.