200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 175437-65-7
175437-65-7 | 2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-6-(3-hydroxypropyl)-3-nitro-
CAS No: 175437-65-7 Catalog No: AG0020ZZ MDL No:
Product Description
Catalog Number:
AG0020ZZ
Chemical Name:
2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-6-(3-hydroxypropyl)-3-nitro-
CAS Number:
175437-65-7
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
IUPAC Name:
4-(3,5-dimethylphenyl)sulfanyl-6-(3-hydroxypropyl)-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C16H18N2O4S/c1-10-6-11(2)8-13(7-10)23-14-9-12(4-3-5-19)17-16(20)15(14)18(21)22/h6-9,19H,3-5H2,1-2H3,(H,17,20)
InChI Key:
ICOIGDZBWMLCKW-UHFFFAOYSA-N
SMILES:
OCCCc1cc(Sc2cc(C)cc(c2)C)c(c(=O)[nH]1)[N+](=O)[O-]
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.