Name: Name:2-Methyl-1,2-benzisothiazol-3(2H)-one
Brand: Angene
SKU: AG003AHN
Rating: 90 (10 reviews)

2-Methyl-1,2-benzisothiazol-3(2H)-one

CAS No.:

2527-66-4

Catalog Number:

AG003AHN

Molecular Formula:

C8H7NOS

Molecular Weight:

165.2123

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Product Description

Catalog Number:

AG003AHN

Chemical Name:

2-Methyl-1,2-benzisothiazol-3(2H)-one

CAS Number:

2527-66-4

Molecular Formula:

C8H7NOS

Molecular Weight:

165.2123

MDL Number:

MFCD02311302

IUPAC Name:

2-methyl-1,2-benzothiazol-3-one

InChI:

InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3

InChI Key:

RDWXSJCICPOOKO-UHFFFAOYSA-N

SMILES:

Cn1sc2c(c1=O)cccc2

UNII:

81PV9X5Y68

NSC Number:

520046

Properties

Complexity:

183

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.21g/mol

Monoisotopic Mass:

165.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Interrogating a hexokinase-selected small-molecule library for inhibitors of Plasmodium falciparum hexokinase.	Antimicrobial agents and chemotherapy 20130801
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