1-(Benzotriazol-1-yl)butane-1-thione
TL;DR: 1-(Benzotriazol-1-yl)butane-1-thione (CAS 865077-49-2) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)butane-1-thione
Also Known As: 1-Thiobutanoyl-1H-benzotriazole, 1-benzotriazol-1-ylbutane-1-thione, 1-(benzotriazol-1-yl)butane-1-thione, J2.389.065H, 1-(1H-1,2,3-benzotriazol-1-yl)butane-1-thione
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.4069 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 461.08997 |
Chemical Identifiers
| CAS Number | 865077-49-2 |
|---|---|
| SMILES | CCCC(=S)N1C2=CC=CC=C2N=N1 |
Product Overview
1-(Benzotriazol-1-yl)butane-1-thione (CAS 865077-49-2), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 1-(benzotriazol-1-yl)butane-1-thione.
Chemical Property Profile of 1-(Benzotriazol-1-yl)butane-1-thione
Property Insights of 1-(Benzotriazol-1-yl)butane-1-thione
The XLogP value of 2.4069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzotriazol-1-yl)butane-1-thione. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(Benzotriazol-1-yl)butane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzotriazol-1-yl)butane-1-thione has 0 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 1-(Benzotriazol-1-yl)butane-1-thione?
The CAS number of 1-(Benzotriazol-1-yl)butane-1-thione is 865077-49-2.
What is the molecular formula of 1-(Benzotriazol-1-yl)butane-1-thione?
The molecular formula of 1-(Benzotriazol-1-yl)butane-1-thione is C10H11N3S.
What is the molecular weight of 1-(Benzotriazol-1-yl)butane-1-thione?
The molecular weight of 1-(Benzotriazol-1-yl)butane-1-thione is 205.07 g/mol.
Where can I buy 1-(Benzotriazol-1-yl)butane-1-thione?
You can request a quote for 1-(Benzotriazol-1-yl)butane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzotriazol-1-yl)butane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzotriazol-1-yl)butane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.