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90921-53-2 | 2H-1,4-Benzothiazin-3(4H)-one, 2,2-dimethyl-
CAS No: 90921-53-2 Catalog No: AG006T47 MDL No:
Product Description
Catalog Number:
AG006T47
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2,2-dimethyl-
CAS Number:
90921-53-2
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
IUPAC Name:
2,2-dimethyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C10H11NOS/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)
InChI Key:
KQXBYDQIOLXEDZ-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2SC1(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Highly potent 1,4-benzothiazine derivatives as K(ATP)-channel openers. | Journal of medicinal chemistry 20030814 |
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