200,000+ products from a single source!
sales@angenechem.com
90695-86-6 | Methanone, [4-(1-methylethyl)phenyl](3-methyl-5-isothiazolyl)-
CAS No: 90695-86-6 Catalog No: AG006B3V MDL No:
Product Description
Catalog Number:
AG006B3V
Chemical Name:
Methanone, [4-(1-methylethyl)phenyl](3-methyl-5-isothiazolyl)-
CAS Number:
90695-86-6
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanone
InChI:
InChI=1S/C14H15NOS/c1-9(2)11-4-6-12(7-5-11)14(16)13-8-10(3)15-17-13/h4-9H,1-3H3
InChI Key:
IFSFBHJEVXUDGZ-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)C(=O)c1ccc(cc1)C(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.