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16476-84-9 | 4(5H)-Thiazolone, 2-(ethylthio)-5-(phenylmethylene)-
CAS No: 16476-84-9 Catalog No: AG001V3D MDL No:
Product Description
Catalog Number:
AG001V3D
Chemical Name:
4(5H)-Thiazolone, 2-(ethylthio)-5-(phenylmethylene)-
CAS Number:
16476-84-9
Molecular Formula:
C12H11NOS2
Molecular Weight:
249.3518
IUPAC Name:
5-benzylidene-2-ethylsulfanyl-1,3-thiazol-4-one
InChI:
InChI=1S/C12H11NOS2/c1-2-15-12-13-11(14)10(16-12)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
GGOWBIHJUZLCLT-UHFFFAOYSA-N
SMILES:
CCSC1=NC(=O)C(=Cc2ccccc2)S1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.346g/mol
Monoisotopic Mass:
249.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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