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100880-38-4 | 4H-1,3-Benzothiazin-4-one, 2-[(4-methylphenyl)amino]-
CAS No: 100880-38-4 Catalog No: AG00033F MDL No:
Product Description
Catalog Number:
AG00033F
Chemical Name:
4H-1,3-Benzothiazin-4-one, 2-[(4-methylphenyl)amino]-
CAS Number:
100880-38-4
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
2-(4-methylanilino)-1,3-benzothiazin-4-one
InChI:
InChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)16-15-17-14(18)12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,16,17,18)
InChI Key:
SOMPRJPYFAWMOR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1nc(=O)c2c(s1)cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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