chempirical

Benzisothiazole

C7H5NSCAS 271-61-4135.18 g/mol

Open in Covalent MOL file
NS

Properties

Molecular formula
C7H5NS
Molar mass
135.18 g/mol
Exact mass
135.0143 Da
logP
2.30Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
271-61-4
SMILES
C1=CC=C2C(=C1)C=NS2
InChIKey
CSNIZNHTOVFARY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H

Weigh it out

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

Names and synonyms

1 names
  • 1,2-Benzisothiazole

Work with Benzisothiazole

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phthalazine253-52-139 % similar Benzothiophene95-15-838 % similar Naphthalene91-20-335 % similar Phenanthridine229-87-834 % similar Isoquinoline119-65-333 % similar 2-Methylbenzothiophene1195-14-833 % similar 2-Bromobenzo(b)thiophene5394-13-833 % similar Accelerator DM120-78-532 % similar

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

Same formula

Phenyl isothiocyanate103-72-0 Benzothiazole95-16-9

Elsewhere

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