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87740-69-0 | 6H-1,3-Thiazine-5-carbonitrile, 4-(methylthio)-2-(2-naphthalenyl)-6-oxo-
CAS No: 87740-69-0 Catalog No: AG004IOH MDL No:
Product Description
Catalog Number:
AG004IOH
Chemical Name:
6H-1,3-Thiazine-5-carbonitrile, 4-(methylthio)-2-(2-naphthalenyl)-6-oxo-
CAS Number:
87740-69-0
Molecular Formula:
C16H10N2OS2
Molecular Weight:
310.3934
IUPAC Name:
4-methylsulfanyl-2-naphthalen-2-yl-6-oxo-1,3-thiazine-5-carbonitrile
InChI:
InChI=1S/C16H10N2OS2/c1-20-15-13(9-17)16(19)21-14(18-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChI Key:
FRMAZSHEUANWSU-UHFFFAOYSA-N
SMILES:
CSc1nc(sc(=O)c1C#N)c1ccc2c(c1)cccc2
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.389g/mol
Monoisotopic Mass:
310.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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