CAS 80567-65-3 | 6-Hydroxybenzo[d]thiazol-2(3H)-one | CAS Number 80567-65-3

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80567-65-3 | 6-Hydroxybenzo[d]thiazol-2(3H)-one

CAS No: 80567-65-3 Catalog No: AG005935 MDL No:

Product Description

Catalog Number:

AG005935

Chemical Name:

6-Hydroxybenzo[d]thiazol-2(3H)-one

CAS Number:

80567-65-3

Molecular Formula:

C7H5NO2S

Molecular Weight:

167.1851

IUPAC Name:

6-hydroxy-3H-1,3-benzothiazol-2-one

InChI:

InChI=1S/C7H5NO2S/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)

InChI Key:

IOAXKKHMBVTXJX-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)sc(=O)[nH]2

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.182g/mol

Monoisotopic Mass:

167.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Benzothiazole degradation by Rhodococcus pyridinovorans strain PA: evidence of a catechol 1,2-dioxygenase activity.	Applied and environmental microbiology 20021201
Long-range (1)H-(15)N heteronuclear shift correlation at natural abundance: a tool to study benzothiazole biodegradation by two rhodococcus strains.	Applied and environmental microbiology 20010401