Name: Name:(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
Brand: Angene
SKU: AG00I55S
Rating: 90 (10 reviews)

(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid

CAS No.:

272437-85-1

Catalog Number:

AG00I55S

Molecular Formula:

C10H9NO3S

Molecular Weight:

223.2484

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Product Description

Catalog Number:

AG00I55S

Chemical Name:

(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid

CAS Number:

272437-85-1

Molecular Formula:

C10H9NO3S

Molecular Weight:

223.2484

MDL Number:

MFCD03001420

IUPAC Name:

2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid

InChI:

InChI=1S/C10H9NO3S/c1-5-9(12)11-7-4-6(10(13)14)2-3-8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14)

InChI Key:

QSSXMCACTGDTCK-UHFFFAOYSA-N

SMILES:

O=C1Nc2cc(ccc2SC1C)C(=O)O

Properties

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.246g/mol

Monoisotopic Mass:

223.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties