200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 296272-93-0
296272-93-0 | 3-{[(4-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
CAS No: 296272-93-0 Catalog No: AG00IR1Q MDL No:MFCD01568448
Product Description
Catalog Number:
AG00IR1Q
Chemical Name:
3-{[(4-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
CAS Number:
296272-93-0
Molecular Formula:
C9H8N4O2S
Molecular Weight:
236.2504
MDL Number:
MFCD01568448
IUPAC Name:
5-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole
InChI:
InChI=1S/C9H8N4O2S/c14-13(15)8-3-1-7(2-4-8)5-16-9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)
InChI Key:
GAPVDAUIUSONCC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSc1n[nH]cn1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.249g/mol
Monoisotopic Mass:
236.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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.