200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 79456-45-4
79456-45-4 | Ethanone, 1-[5-(methylthio)-4-nitro-2-thienyl]-
CAS No: 79456-45-4 Catalog No: AG0058LI MDL No:
Product Description
Catalog Number:
AG0058LI
Chemical Name:
Ethanone, 1-[5-(methylthio)-4-nitro-2-thienyl]-
CAS Number:
79456-45-4
Molecular Formula:
C7H7NO3S2
Molecular Weight:
217.2654
IUPAC Name:
1-(5-methylsulfanyl-4-nitrothiophen-2-yl)ethanone
InChI:
InChI=1S/C7H7NO3S2/c1-4(9)6-3-5(8(10)11)7(12-2)13-6/h3H,1-2H3
InChI Key:
XSKKSRFLOSYDJA-UHFFFAOYSA-N
SMILES:
CSc1sc(cc1[N+](=O)[O-])C(=O)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.257g/mol
Monoisotopic Mass:
216.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.