200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88357-18-0
88357-18-0 | Benzene, 1-[(1,1-dimethylethyl)thio]-4-(2-nitro-1-propenyl)-
CAS No: 88357-18-0 Catalog No: AG0046HJ MDL No:
Product Description
Catalog Number:
AG0046HJ
Chemical Name:
Benzene, 1-[(1,1-dimethylethyl)thio]-4-(2-nitro-1-propenyl)-
CAS Number:
88357-18-0
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
IUPAC Name:
1-tert-butylsulfanyl-4-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C13H17NO2S/c1-10(14(15)16)9-11-5-7-12(8-6-11)17-13(2,3)4/h5-9H,1-4H3
InChI Key:
FWLCYYUWDZBCJV-UHFFFAOYSA-N
SMILES:
CC(=Cc1ccc(cc1)SC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.