chempirical

2-Cyano-6-methoxybenzothiazole

C9H6N2OSCAS 943-03-3190.22 g/mol

Open in Covalent MOL file
ONSN
EtherNitrile

Properties

Molecular formula
C9H6N2OS
Molar mass
190.22 g/mol
Exact mass
190.0201 Da
logP
2.18Crippen estimate
Polar surface area
45.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
943-03-3
SMILES
COC1=CC2=C(C=C1)N=C(S2)C#N
InChIKey
DEWDWBYQOFXKIH-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3

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Names and synonyms

1 names
  • 2-Cyano-6-methoxy benzothiazole

Work with 2-Cyano-6-methoxybenzothiazole

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

6-Methoxy-2-methylbenzothiazole2941-72-259 % similar 2-Cyano-6-hydroxybenzothiazole939-69-559 % similar 2-Chloro-6-methoxybenzothiazole2605-14-357 % similar 2-Bromo-6-methoxy-1,3-benzothiazole2941-58-457 % similar 6-Amino-1,3-benzothiazole-2-carbonitrile7724-12-157 % similar 6-Methoxybenzothiazole2942-13-446 % similar Frentizole26130-02-946 % similar 5-Methoxy-2-methylbenzothiazole2941-69-744 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook