![4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide structure](/static/products/7330/733044-83-2.webp)
4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide
TL;DR: 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide (CAS 733044-83-2) is a chemical compound with molecular formula C10H10N4S2 and molecular weight 250.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarbothioamide
Also Known As: 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide, 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarbothioamide, 4-(4H-1,2,4-triazol-3-ylsulfanylmethyl)benzenecarbothioamide, 4-[(1H-1,2,4-Triazol-5-ylthio)methyl]benzenecarbothioamide, 4-{[(4H-1,2,4-Triazol-3-yl)sulfanyl]methyl}benzene-1-carbothioamide
| Molecular Formula | C10H10N4S2 |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 1.7312 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.03468 |
| Heavy Atoms | 16 |
| Complexity | 464.07407 |
Chemical Identifiers
| CAS Number | 733044-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NN2)C(=S)N |
Product Overview
4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide (CAS 733044-83-2), with molecular formula C10H10N4S2 and molecular weight 250.03 g/mol. IUPAC: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarbothioamide.
Chemical Property Profile of 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide
Property Insights of 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide
The XLogP value of 1.7312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide. Following Lipinski's Rule of Five, 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide 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 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide?
The CAS number of 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide is 733044-83-2.
What is the molecular formula of 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide?
The molecular formula of 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide is C10H10N4S2.
What is the molecular weight of 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide?
The molecular weight of 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide is 250.03 g/mol.
Where can I buy 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide?
You can request a quote for 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.