6-Amino-1,3-benzothiazole-2-carbonitrile

C₈H₅N₃SCAS 7724-12-1175.21 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₈H₅N₃S
Molar mass: 175.21 g/mol
Exact mass: 175.0204 Da
logP: 1.75Crippen estimate
Polar surface area: 62.7 Å²
H-bond donors / acceptors: 1 / 4
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

7724-12-1

SMILES

C1=CC2=C(C=C1N)SC(=N2)C#N

InChIKey

ZOHSEULTWOYIMS-UHFFFAOYSA-N

InChI

InChI=1S/C8H5N3S/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,10H2

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Names and synonyms

1 names

6-Amino-2-benzothiazolecarbonitrile

Work with 6-Amino-1,3-benzothiazole-2-carbonitrile

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

2-Methyl-1,3-benzothiazol-6-amine2941-62-054 % similar 6-Amino-2-mercaptobenzothiazole7442-07-154 % similar 2-(Methylsulfanyl)-1,3-benzothiazol-6-amine25706-29-050 % similar Giemsa stain51811-82-643 % similar 3-Dibenzothiophenamine25288-76-042 % similar Benzo[D][1,2,3]thiadiazol-6-amine41972-62-742 % similar 6-Benzothiazolamine533-30-242 % similar 4-Amino-1,2-benzenedicarbonitrile56765-79-842 % similar

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

Same formula

2-Amino-benzothiazole-6-carbonitrile19759-66-1

Elsewhere

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