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80532-90-7 | 6H-1,3-Thiazine-5-carbonitrile, 4-(methylthio)-6-oxo-2-phenyl-
CAS No: 80532-90-7 Catalog No: AG0052GT MDL No:
Product Description
Catalog Number:
AG0052GT
Chemical Name:
6H-1,3-Thiazine-5-carbonitrile, 4-(methylthio)-6-oxo-2-phenyl-
CAS Number:
80532-90-7
Molecular Formula:
C12H8N2OS2
Molecular Weight:
260.3347
IUPAC Name:
4-methylsulfanyl-6-oxo-2-phenyl-1,3-thiazine-5-carbonitrile
InChI:
InChI=1S/C12H8N2OS2/c1-16-11-9(7-13)12(15)17-10(14-11)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
ICAFNQTWCVYRBT-UHFFFAOYSA-N
SMILES:
CSc1nc(sc(=O)c1C#N)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.329g/mol
Monoisotopic Mass:
260.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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