200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 51392-54-2
51392-54-2 | Benzene, 1-[(methylthio)methyl]-3-nitro-
CAS No: 51392-54-2 Catalog No: AG00I973 MDL No:
Product Description
Catalog Number:
AG00I973
Chemical Name:
Benzene, 1-[(methylthio)methyl]-3-nitro-
CAS Number:
51392-54-2
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
IUPAC Name:
1-(methylsulfanylmethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H9NO2S/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3
InChI Key:
RVUYCFUSWBGCKF-UHFFFAOYSA-N
SMILES:
CSCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.