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1200-13-1 | 2-Propanone, 1-[(4-methylphenyl)thio]-
CAS No: 1200-13-1 Catalog No: AG000Q2D MDL No:MFCD00052713
Product Description
Catalog Number:
AG000Q2D
Chemical Name:
2-Propanone, 1-[(4-methylphenyl)thio]-
CAS Number:
1200-13-1
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
MDL Number:
MFCD00052713
IUPAC Name:
1-(4-methylphenyl)sulfanylpropan-2-one
InChI:
InChI=1S/C10H12OS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,7H2,1-2H3
InChI Key:
CYDGCRNQPJVYSN-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1ccc(cc1)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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