200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 123856-95-1
123856-95-1 | 1H-1,2,4-Triazole, 5-[[[4-(trifluoromethyl)phenyl]methyl]thio]-
CAS No: 123856-95-1 Catalog No: AG000L6F MDL No:
Product Description
Catalog Number:
AG000L6F
Chemical Name:
1H-1,2,4-Triazole, 5-[[[4-(trifluoromethyl)phenyl]methyl]thio]-
CAS Number:
123856-95-1
Molecular Formula:
C10H8F3N3S
Molecular Weight:
259.2508
IUPAC Name:
5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
InChI:
InChI=1S/C10H8F3N3S/c11-10(12,13)8-3-1-7(2-4-8)5-17-9-14-6-15-16-9/h1-4,6H,5H2,(H,14,15,16)
InChI Key:
GAVCBTAAETXETA-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)CSc1ncn[nH]1)(F)F
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.25g/mol
Monoisotopic Mass:
259.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives. | Farmaco (Societa chimica italiana : 1989) 20040401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.