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30752-17-1 | 2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(phenylmethylene)-
CAS No: 30752-17-1 Catalog No: AG003164 MDL No:
Product Description
Catalog Number:
AG003164
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(phenylmethylene)-
CAS Number:
30752-17-1
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
2-benzylidene-4-methyl-1,4-benzothiazin-3-one
InChI:
InChI=1S/C16H13NOS/c1-17-13-9-5-6-10-14(13)19-15(16(17)18)11-12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
BUPJWEJVHXHTFA-UHFFFAOYSA-N
SMILES:
O=c1c(=Cc2ccccc2)sc2c(n1C)cccc2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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