200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89303-16-2
89303-16-2 | Benzene, 4-(methylthio)-1-nitro-2-[(phenylsulfonyl)methyl]-
CAS No: 89303-16-2 Catalog No: AG003YN5 MDL No:MFCD00114691
Product Description
Catalog Number:
AG003YN5
Chemical Name:
Benzene, 4-(methylthio)-1-nitro-2-[(phenylsulfonyl)methyl]-
CAS Number:
89303-16-2
Molecular Formula:
C14H13NO4S2
Molecular Weight:
323.3873
MDL Number:
MFCD00114691
IUPAC Name:
2-(benzenesulfonylmethyl)-4-methylsulfanyl-1-nitrobenzene
InChI:
InChI=1S/C14H13NO4S2/c1-20-12-7-8-14(15(16)17)11(9-12)10-21(18,19)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChI Key:
GQCHKXRMBPWZCR-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.381g/mol
Monoisotopic Mass:
323.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.