2-(Methylsulfanyl)-1,3-benzothiazol-6-amine

C₈H₈N₂S₂CAS 25706-29-0196.29 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₈H₈N₂S₂
Molar mass: 196.29 g/mol
Exact mass: 196.0129 Da
logP: 2.60Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 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

25706-29-0

SMILES

CSC1=NC2=C(S1)C=C(C=C2)N

InChIKey

GYCJZSAIEMSFAV-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2S2/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3

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Names and synonyms

1 names

2-(Methylthio)-1,3-benzothiazol-6-amine

Work with 2-(Methylsulfanyl)-1,3-benzothiazol-6-amine

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-amine2941-62-058 % similar 2-(Methylthio)benzothiazole615-22-557 % similar 6-Amino-2-mercaptobenzothiazole7442-07-154 % similar 2-(4-Aminophenyl)-6-methylbenzothiazole92-36-443 % similar Giemsa stain51811-82-643 % similar 5-Amino-2-methylbenzothiazole13382-43-943 % similar Benzo[D][1,2,3]thiadiazol-6-amine41972-62-742 % similar 6-Benzothiazolamine533-30-242 % similar

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

Elsewhere

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