4-(Benzylideneamino)-1,2,4-triazole-3-thiol
TL;DR: 4-(Benzylideneamino)-1,2,4-triazole-3-thiol (CAS 40159-48-6) is a chemical compound with molecular formula C9H8N4S and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylideneamino)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(benzylideneamino)-1,2,4-triazole-3-thiol, 4-(Benzylideneamino)-4H-1,2,4-triazole-3-thiol, 4-Benzyliden-5-methyl-2,4-dihydro-pyrazol-3-on, 4-(benzylideneamino)-1H-1,2,4-triazole-5-thione, 4-{[(1E)-phenylmethylene]amino}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C9H8N4S |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.04697 |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 40159-48-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NN2C=NNC2=S |
| InChIKey | SOJDFRMKXRGAEQ-UHFFFAOYSA-N |
Product Overview
4-(Benzylideneamino)-1,2,4-triazole-3-thiol (CAS 40159-48-6), with molecular formula C9H8N4S and molecular weight 204.05 g/mol. IUPAC: 4-(benzylideneamino)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(Benzylideneamino)-1,2,4-triazole-3-thiol
Property Insights of 4-(Benzylideneamino)-1,2,4-triazole-3-thiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzylideneamino)-1,2,4-triazole-3-thiol. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzylideneamino)-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(Benzylideneamino)-1,2,4-triazole-3-thiol has 1 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 4-(Benzylideneamino)-1,2,4-triazole-3-thiol?
The CAS number of 4-(Benzylideneamino)-1,2,4-triazole-3-thiol is 40159-48-6.
What is the molecular formula of 4-(Benzylideneamino)-1,2,4-triazole-3-thiol?
The molecular formula of 4-(Benzylideneamino)-1,2,4-triazole-3-thiol is C9H8N4S.
What is the molecular weight of 4-(Benzylideneamino)-1,2,4-triazole-3-thiol?
The molecular weight of 4-(Benzylideneamino)-1,2,4-triazole-3-thiol is 204.05 g/mol.
Where can I buy 4-(Benzylideneamino)-1,2,4-triazole-3-thiol?
You can request a quote for 4-(Benzylideneamino)-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylideneamino)-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylideneamino)-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.