Name: Name:2-[(1,1-dioxo-1,2-benzothiazol-3-yl)(methyl)amino]acetic acid
Brand: Angene
SKU: AG019OCI
Rating: 90 (10 reviews)

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)(methyl)amino]acetic acid

CAS No.:

854357-50-9

Catalog Number:

AG019OCI

Molecular Formula:

C10H10N2O4S

Molecular Weight:

254.2624

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Product Description

Catalog Number:

AG019OCI

Chemical Name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)(methyl)amino]acetic acid

CAS Number:

854357-50-9

Molecular Formula:

C10H10N2O4S

Molecular Weight:

254.2624

MDL Number:

MFCD06655913

IUPAC Name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetic acid

InChI:

InChI=1S/C10H10N2O4S/c1-12(6-9(13)14)10-7-4-2-3-5-8(7)17(15,16)11-10/h2-5H,6H2,1H3,(H,13,14)

InChI Key:

WYAVGKBCFWUKSR-UHFFFAOYSA-N

SMILES:

OC(=O)CN(C1=NS(=O)(=O)c2c1cccc2)C

Properties

Complexity:

451

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.26g/mol

Monoisotopic Mass:

254.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101