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88091-00-3 | 2-Propanone, 1-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-
CAS No: 88091-00-3 Catalog No: AG004GZS MDL No:
Product Description
Catalog Number:
AG004GZS
Chemical Name:
2-Propanone, 1-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-
CAS Number:
88091-00-3
Molecular Formula:
C12H12N2OS
Molecular Weight:
232.3015
IUPAC Name:
1-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propan-2-one
InChI:
InChI=1S/C12H12N2OS/c1-8-3-5-10(6-4-8)12-13-11(16-14-12)7-9(2)15/h3-6H,7H2,1-2H3
InChI Key:
YUBMLSZRLUAUKO-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1snc(n1)c1ccc(cc1)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.301g/mol
Monoisotopic Mass:
232.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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