chempirical

2-Benzothiazolinone

C7H5NOSCAS 934-34-9151.18 g/mol

Open in Covalent MOL file
HONS
Phenol

Properties

Molecular formula
C7H5NOS
Molar mass
151.18 g/mol
Exact mass
151.0092 Da
Melting point
139 °C
Boiling point
360 °C
logP
2.00Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
934-34-9
SMILES
Oc1nc2ccccc2s1
InChIKey
YEDUAINPPJYDJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2(3H)-Benzothiazolone
  • 2-Hydroxybenzothiazole
  • 2-Benzothiazolol
  • Benzothiazolone
  • 2-Benzothiazolone
  • 2-Oxobenzothiazole
  • NSC 26422
  • NSC 33823
  • NSC 7706
  • 1,3-Benzothiazol-2(3H)-one
  • 2,3-Dihydro-1,3-benzothiazol-2-one
  • 1,3-Benzothiazol-2-ol

Work with 2-Benzothiazolinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydrazinylbenzothiazole615-21-453 % similar 5-Chloro-2(3H)-benzothiazolone20600-44-653 % similar 6-Bromo-2-benzothiazolinone62266-82-453 % similar 2-Fluorobenzothiazole1123-98-452 % similar 2-Methylbenzothiazole120-75-252 % similar Accelerator dm120-78-552 % similar Mercaptobenzothiazole149-30-452 % similar 2,2′-Methylenebis[benzothiazole]1945-78-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Thieno(3,2-b)pyridin-7-ol107818-20-2 2-Mercaptobenzoxazole2382-96-9 Benzisothiazolinone2634-33-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook