200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 896618-59-0
896618-59-0 | 3-(2,4-DIMETHYLBENZOYL)THIOPHENE
CAS No: 896618-59-0 Catalog No: AG0044WR MDL No:MFCD07699027
Product Description
Catalog Number:
AG0044WR
Chemical Name:
3-(2,4-DIMETHYLBENZOYL)THIOPHENE
CAS Number:
896618-59-0
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
MDL Number:
MFCD07699027
IUPAC Name:
(2,4-dimethylphenyl)-thiophen-3-ylmethanone
InChI:
InChI=1S/C13H12OS/c1-9-3-4-12(10(2)7-9)13(14)11-5-6-15-8-11/h3-8H,1-2H3
InChI Key:
AWNVGDUEVLOEOR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)c1cscc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.