![N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide structure](/static/products/1709/170937-80-1.webp)
N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide
TL;DR: N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide (CAS 170937-80-1) is a chemical compound with molecular formula C16H16N4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(benzotriazol-1-yl)propyl]benzenecarbothioamide
Also Known As: starbld0010143, N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide, N-[1-(benzotriazol-1-yl)propyl]benzenecarbothioamide, N-(1-benzotriazol-1-ylpropyl)benzenecarbothioamide, N-(1-(1H-Benzo[d][1,2,3]triazol-1-yl)propyl)benzothioamide
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.3052 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 751.0727 |
Chemical Identifiers
| CAS Number | 170937-80-1 |
|---|---|
| SMILES | CCC(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
Product Overview
N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide (CAS 170937-80-1), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: N-[1-(benzotriazol-1-yl)propyl]benzenecarbothioamide.
Chemical Property Profile of N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide
Property Insights of N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide
The XLogP value of 3.3052 indicates that N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]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)propyl]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)propyl]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)propyl]benzenecarbothioamide?
The CAS number of N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide is 170937-80-1.
What is the molecular formula of N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide?
The molecular formula of N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide is C16H16N4S.
What is the molecular weight of N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide?
The molecular weight of N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide is 296.11 g/mol.
Where can I buy N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide?
You can request a quote for N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]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)propyl]benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.