200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 53827-87-5
53827-87-5 | 3-Methyl-4-nitrobenzenethiol
CAS No: 53827-87-5 Catalog No: AG01FL7P MDL No:
Product Description
Catalog Number:
AG01FL7P
Chemical Name:
3-Methyl-4-nitrobenzenethiol
CAS Number:
53827-87-5
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
IUPAC Name:
3-methyl-4-nitrobenzenethiol
InChI:
InChI=1S/C7H7NO2S/c1-5-4-6(11)2-3-7(5)8(9)10/h2-4,11H,1H3
InChI Key:
LZBUHYXIKJZOKU-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.