RefChem:508672
TL;DR: RefChem:508672 (CAS 325994-80-7) is a chemical compound with molecular formula C10H6F3N5O2S and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-3-(trifluoromethyl)-1,2,4-triazoline-5-t hione, 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol, 4-(((E)-(3-NITROPHENYL)METHYLIDENE)AMINO)-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, 644-781-1
| Molecular Formula | C10H6F3N5O2S |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 2.74989 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.01944 |
| Heavy Atoms | 21 |
| Complexity | 764.53906 |
Chemical Identifiers
| CAS Number | 325994-80-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/N2C(=NNC2=S)C(F)(F)F |
Product Overview
RefChem:508672 (CAS 325994-80-7), with molecular formula C10H6F3N5O2S and molecular weight 317.02 g/mol. IUPAC: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:508672
Property Insights of RefChem:508672
The XLogP value of 2.74989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:508672. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:508672. Following Lipinski's Rule of Five, RefChem:508672 has 1 hydrogen bond donor(s) and 5 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 RefChem:508672?
The CAS number of RefChem:508672 is 325994-80-7.
What is the molecular formula of RefChem:508672?
The molecular formula of RefChem:508672 is C10H6F3N5O2S.
What is the molecular weight of RefChem:508672?
The molecular weight of RefChem:508672 is 317.02 g/mol.
Where can I buy RefChem:508672?
You can request a quote for RefChem:508672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508672?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.