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77831-98-2 | 4H-1,3-Thiazin-4-one, 2,3-dihydro-6-methyl-2-(phenylmethylene)-
CAS No: 77831-98-2 Catalog No: AG0057FF MDL No:
Product Description
Catalog Number:
AG0057FF
Chemical Name:
4H-1,3-Thiazin-4-one, 2,3-dihydro-6-methyl-2-(phenylmethylene)-
CAS Number:
77831-98-2
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
2-benzylidene-6-methyl-1,3-thiazin-4-one
InChI:
InChI=1S/C12H11NOS/c1-9-7-11(14)13-12(15-9)8-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChI Key:
YINCRMXXLBQBDU-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c(=Cc2ccccc2)s1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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