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15568-07-7 | 4H-1,3-Benzothiazin-4-one, 2,3-dihydro-2-imino-3-phenyl-
CAS No: 15568-07-7 Catalog No: AG001O4D MDL No:
Product Description
Catalog Number:
AG001O4D
Chemical Name:
4H-1,3-Benzothiazin-4-one, 2,3-dihydro-2-imino-3-phenyl-
CAS Number:
15568-07-7
Molecular Formula:
C14H10N2OS
Molecular Weight:
254.3070
IUPAC Name:
2-imino-3-phenyl-1,3-benzothiazin-4-one
InChI:
InChI=1S/C14H10N2OS/c15-14-16(10-6-2-1-3-7-10)13(17)11-8-4-5-9-12(11)18-14/h1-9,15H
InChI Key:
YDNYDCWONMMRRW-UHFFFAOYSA-N
SMILES:
N=c1sc2ccccc2c(=O)n1c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.307g/mol
Monoisotopic Mass:
254.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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