Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-
TL;DR: Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- (CAS 16595-48-5) is a chemical compound with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)sulfanyl-1H-1,2,4-triazol-5-amine
Also Known As: Bay 08276, 4-chloro-N- benzenesulfenamide, Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-, N-(4-chlorophenyl)sulfanyl-1H-1,2,4-triazol-5-amine, n-[(4-chlorophenyl)sulfanyl]-1h-1,2,4-triazol-5-amine
| Molecular Formula | C8H7ClN4S |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.008 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 16595-48-5 |
|---|---|
| SMILES | C1=CC(=CC=C1SNC2=NC=NN2)Cl |
| InChIKey | YJJBKPSBOMZUGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- (CAS 16595-48-5), with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol. IUPAC: N-(4-chlorophenyl)sulfanyl-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-
Property Insights of Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- has 2 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 Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-?
The CAS number of Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- is 16595-48-5.
What is the molecular formula of Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-?
The molecular formula of Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- is C8H7ClN4S.
What is the molecular weight of Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-?
The molecular weight of Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- is 226.01 g/mol.
Where can I buy Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-?
You can request a quote for Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-chloro-N-1H-1,2,4-triazol-3-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.