Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-
TL;DR: Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- (CAS 61690-98-0) is a chemical compound with molecular formula C4H4N4S and molecular weight 140.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-ylsulfanyl)acetonitrile
Also Known As: Acetonitrile, -, (4H-1,2,4-Triazol-3-ylsulfanyl)acetonitrile, (1H-1,2,4-triazol-5-ylsulfanyl)acetonitrile, 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetonitrile, 2-(2H-1,2,4-triazol-3-ylsulfanyl)acetonitrile
| Molecular Formula | C4H4N4S |
|---|---|
| Molecular Weight | 140.02 g/mol |
| LogP | 0.42038 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.01567 |
| Heavy Atoms | 9 |
| Complexity | 198.84225 |
Chemical Identifiers
| CAS Number | 61690-98-0 |
|---|---|
| SMILES | C1=NNC(=N1)SCC#N |
Product Overview
Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- (CAS 61690-98-0), with molecular formula C4H4N4S and molecular weight 140.02 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetonitrile.
Chemical Property Profile of Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-
Property Insights of Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-
The XLogP value of 0.42038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-. Following Lipinski's Rule of Five, Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- 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 Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-?
The CAS number of Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- is 61690-98-0.
What is the molecular formula of Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-?
The molecular formula of Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- is C4H4N4S.
What is the molecular weight of Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-?
The molecular weight of Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- is 140.02 g/mol.
Where can I buy Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-?
You can request a quote for Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile,(1H-1,2,4-triazol-3-ylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile,(1H-1,2,4-triazol-3-ylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.