![N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide structure](/static/products/3006/300679-72-5.webp)
N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide
TL;DR: N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide (CAS 300679-72-5) is a chemical compound with molecular formula C12H16N4S2 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-ylmethyl N-butylcarbamodithioate
Also Known As: starbld0011379, N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide, benzotriazol-1-ylmethyl N-butylcarbamodithioate, (1H-Benzo[d][1,2,3]triazol-1-yl)methyl butylcarbamodithioate, 1-(benzotriazol-1-ylmethylsulfanyl)-N-butyl-methanethioamide
| Molecular Formula | C12H16N4S2 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.7966 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.08163 |
| Heavy Atoms | 18 |
| Complexity | 523.5267 |
Chemical Identifiers
| CAS Number | 300679-72-5 |
|---|---|
| SMILES | CCCCNC(=S)SCN1C2=CC=CC=C2N=N1 |
Product Overview
N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide (CAS 300679-72-5), with molecular formula C12H16N4S2 and molecular weight 280.08 g/mol. IUPAC: benzotriazol-1-ylmethyl N-butylcarbamodithioate.
Chemical Property Profile of N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide
Property Insights of N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide
The XLogP value of 2.7966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide. With a topological polar surface area (TPSA) of 42.74 Ų, N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide has 1 hydrogen bond donor(s) and 4 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-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide?
The CAS number of N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide is 300679-72-5.
What is the molecular formula of N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide?
The molecular formula of N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide is C12H16N4S2.
What is the molecular weight of N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide?
The molecular weight of N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide is 280.08 g/mol.
Where can I buy N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide?
You can request a quote for N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.