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113544-20-0 | 3(2H)-Thiophenone, 5-(methylthio)-2-(phenylmethylene)-
CAS No: 113544-20-0 Catalog No: AG0008YR MDL No:
Product Description
Catalog Number:
AG0008YR
Chemical Name:
3(2H)-Thiophenone, 5-(methylthio)-2-(phenylmethylene)-
CAS Number:
113544-20-0
Molecular Formula:
C12H10OS2
Molecular Weight:
234.3372
IUPAC Name:
2-benzylidene-5-methylsulfanylthiophen-3-one
InChI:
InChI=1S/C12H10OS2/c1-14-12-8-10(13)11(15-12)7-9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
DHFAGGXMBJSCHU-UHFFFAOYSA-N
SMILES:
CSC1=CC(=O)C(=Cc2ccccc2)S1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.331g/mol
Monoisotopic Mass:
234.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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