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105773-00-0 | 2H-1,4-Benzothiazin-3(4H)-one, 2-(4-hydroxyphenyl)-2,4-dimethyl-
CAS No: 105773-00-0 Catalog No: AG007F1F MDL No:
Product Description
Catalog Number:
AG007F1F
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-(4-hydroxyphenyl)-2,4-dimethyl-
CAS Number:
105773-00-0
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
IUPAC Name:
2-(4-hydroxyphenyl)-2,4-dimethyl-1,4-benzothiazin-3-one
InChI:
InChI=1S/C16H15NO2S/c1-16(11-7-9-12(18)10-8-11)15(19)17(2)13-5-3-4-6-14(13)20-16/h3-10,18H,1-2H3
InChI Key:
UIMPVPABUBJEOO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(C)Sc2ccccc2N(C1=O)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.361g/mol
Monoisotopic Mass:
285.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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