1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea
TL;DR: 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea (CAS 443652-11-7) is a chemical compound with molecular formula C7H12N6O2S2 and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)thiourea
Also Known As: 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea, 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)thiourea, 3-({[(5-amino(4H-1,2,4-triazol-3-yl))amino]thioxomethyl}amino)thiolane-1,1-dio ne, N-(5-amino-4H-1,2,4-triazol-3-yl)-N'-(1,1-dioxidotetrahydro-3-thienyl)thiourea
| Molecular Formula | C7H12N6O2S2 |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | -1.1396 |
| Topological Polar Surface Area | 125.79 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.04633 |
| Heavy Atoms | 17 |
| Complexity | 524.2211 |
Chemical Identifiers
| CAS Number | 443652-11-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NC2=NNC(=N2)N |
Product Overview
1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea (CAS 443652-11-7), with molecular formula C7H12N6O2S2 and molecular weight 276.05 g/mol. IUPAC: 1-(5-amino-1H-1,2,4-triazol-3-yl)-3-(1,1-dioxothiolan-3-yl)thiourea.
Chemical Property Profile of 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea
Property Insights of 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea
The XLogP value of -1.1396 indicates that 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea. Following Lipinski's Rule of Five, 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea has 4 hydrogen bond donor(s) and 6 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 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea?
The CAS number of 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea is 443652-11-7.
What is the molecular formula of 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea?
The molecular formula of 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea is C7H12N6O2S2.
What is the molecular weight of 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea?
The molecular weight of 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea is 276.05 g/mol.
Where can I buy 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea?
You can request a quote for 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-amino-4H-1,2,4-triazol-3-yl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.