200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89845-91-0
89845-91-0 | Benzene, 1-methyl-4-[[[(4-nitrophenyl)methyl]thio]methyl]-
CAS No: 89845-91-0 Catalog No: AG003WV8 MDL No:
Product Description
Catalog Number:
AG003WV8
Chemical Name:
Benzene, 1-methyl-4-[[[(4-nitrophenyl)methyl]thio]methyl]-
CAS Number:
89845-91-0
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
1-methyl-4-[(4-nitrophenyl)methylsulfanylmethyl]benzene
InChI:
InChI=1S/C15H15NO2S/c1-12-2-4-13(5-3-12)10-19-11-14-6-8-15(9-7-14)16(17)18/h2-9H,10-11H2,1H3
InChI Key:
FEMXLTLXPUBLQS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CSCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.