200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 551920-95-7
551920-95-7 | 2-{[(3-nitrophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CAS No: 551920-95-7 Catalog No: AG00IPW8 MDL No:MFCD02571202
Product Description
Catalog Number:
AG00IPW8
Chemical Name:
2-{[(3-nitrophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CAS Number:
551920-95-7
Molecular Formula:
C17H13N3O3S
Molecular Weight:
339.3684
MDL Number:
MFCD02571202
IUPAC Name:
2-[(3-nitrophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C17H13N3O3S/c21-20(22)15-8-4-7-14(11-15)12-24-17-19-18-16(23-17)10-9-13-5-2-1-3-6-13/h1-11H,12H2/b10-9+
InChI Key:
AYXIDLCNKLOUOR-MDZDMXLPSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CSc1nnc(o1)/C=C/c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
339.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.369g/mol
Monoisotopic Mass:
339.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.