Benzotriazol-1-ylpyrrolidin-1-ylmethanethione
TL;DR: Benzotriazol-1-ylpyrrolidin-1-ylmethanethione (CAS 690634-12-9) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl(pyrrolidin-1-yl)methanethione
Also Known As: Benzotriazol-1-ylpyrrolidin-1-ylmethanethione, benzotriazol-1-yl(pyrrolidin-1-yl)methanethione, 1-(pyrrolidin-1-ylcarbonothioyl)-1h-benzotriazole, 1-(1-Pyrrolidinylthioxomethyl)-1H-benzotriazole, Benzotriazol-1-yl-pyrrolidin-1-yl-methanethione
| Molecular Formula | C11H12N4S |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.6601 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.07826 |
| Heavy Atoms | 16 |
| Complexity | 527.51904 |
Chemical Identifiers
| CAS Number | 690634-12-9 |
|---|---|
| SMILES | C1CCN(C1)C(=S)N2C3=CC=CC=C3N=N2 |
Product Overview
Benzotriazol-1-ylpyrrolidin-1-ylmethanethione (CAS 690634-12-9), with molecular formula C11H12N4S and molecular weight 232.08 g/mol. IUPAC: benzotriazol-1-yl(pyrrolidin-1-yl)methanethione.
Chemical Property Profile of Benzotriazol-1-ylpyrrolidin-1-ylmethanethione
Property Insights of Benzotriazol-1-ylpyrrolidin-1-ylmethanethione
The XLogP value of 1.6601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-ylpyrrolidin-1-ylmethanethione. With a topological polar surface area (TPSA) of 33.95 Ų, Benzotriazol-1-ylpyrrolidin-1-ylmethanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-ylpyrrolidin-1-ylmethanethione 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 Benzotriazol-1-ylpyrrolidin-1-ylmethanethione?
The CAS number of Benzotriazol-1-ylpyrrolidin-1-ylmethanethione is 690634-12-9.
What is the molecular formula of Benzotriazol-1-ylpyrrolidin-1-ylmethanethione?
The molecular formula of Benzotriazol-1-ylpyrrolidin-1-ylmethanethione is C11H12N4S.
What is the molecular weight of Benzotriazol-1-ylpyrrolidin-1-ylmethanethione?
The molecular weight of Benzotriazol-1-ylpyrrolidin-1-ylmethanethione is 232.08 g/mol.
Where can I buy Benzotriazol-1-ylpyrrolidin-1-ylmethanethione?
You can request a quote for Benzotriazol-1-ylpyrrolidin-1-ylmethanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-ylpyrrolidin-1-ylmethanethione?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-ylpyrrolidin-1-ylmethanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.