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

C8H8N2S2CAS 25706-29-0196.29 g/mol

Open in Covalent MOL file
SNSNH2
Primary amineSulfide

Properties

Molecular formula
C8H8N2S2
Molar mass
196.29 g/mol
Exact mass
196.0129 Da
logP
2.60Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 6-Amino-1,3-benzothiazole-2-carbonitrile7724-12-150 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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