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95476-30-5 | 2H-1,4-Benzothiazin-3(4H)-one, 2-[(4-methylphenyl)methylene]-
CAS No: 95476-30-5 Catalog No: AG006085 MDL No:
Product Description
Catalog Number:
AG006085
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-[(4-methylphenyl)methylene]-
CAS Number:
95476-30-5
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
2-[(4-methylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C16H13NOS/c1-11-6-8-12(9-7-11)10-15-16(18)17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,17,18)
InChI Key:
DOUWJSBULVQEQA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=c1sc2ccccc2[nH]c1=O
Properties
Complexity:
371
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:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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