Name: Name:1,2-Benzisothiazol-3(2H)-one, 5-bromo-
Brand: Angene
SKU: AG00I1TV
Rating: 90 (10 reviews)

1,2-Benzisothiazol-3(2H)-one, 5-bromo-

CAS No.:

186584-79-2

Catalog Number:

AG00I1TV

Molecular Formula:

C7H4BrNOS

Molecular Weight:

230.0818

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Product Description

Catalog Number:

AG00I1TV

Chemical Name:

1,2-Benzisothiazol-3(2H)-one, 5-bromo-

CAS Number:

186584-79-2

Molecular Formula:

C7H4BrNOS

Molecular Weight:

230.0818

MDL Number:

MFCD28671026

IUPAC Name:

5-bromo-1,2-benzothiazol-3-one

InChI:

InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)

InChI Key:

VRNPGETVOADHCQ-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)c(=O)[nH]s2

Properties

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.92g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.079g/mol

Monoisotopic Mass:

228.92g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Structure-Based Identification of HIV-1 Nucleocapsid Protein Inhibitors Active against Wild-Type and Drug-Resistant HIV-1 Strains.	ACS chemical biology 20180119