2-Methyl-1,3-benzothiazol-6-amine

C₈H₈N₂SCAS 2941-62-0164.23 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₈H₈N₂S
Molar mass: 164.23 g/mol
Exact mass: 164.0408 Da
logP: 2.19Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2941-62-0

SMILES

CC1=NC2=C(S1)C=C(C=C2)N

InChIKey

HFUJOSYKJMNSFQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2S/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

1 names

6-Amino-2-methylbenzothiazole

Work with 2-Methyl-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

2,6-Dimethylbenzothiazole2941-71-163 % similar 6-Amino-2-mercaptobenzothiazole7442-07-159 % similar 2-(Methylsulfanyl)-1,3-benzothiazol-6-amine25706-29-058 % similar 6-Methoxy-2-methylbenzothiazole2941-72-256 % similar 6-Amino-1,3-benzothiazole-2-carbonitrile7724-12-154 % similar 2-Methylbenzothiazole120-75-253 % similar 2,5,6-Trimethylbenzothiazole5683-41-052 % similar 2-Methylnaphtho[2,3-d]thiazole6957-25-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Amino-2-methylbenzothiazole13382-43-9 2-Amino-4-methylbenzothiazole1477-42-5 5-Methyl-2-benzothiazolamine14779-17-0 2-Amino-6-methylbenzothiazole2536-91-6 2-Mercapto-5-methylbenzimidazole27231-36-3 Methyl-2-mercaptobenzimidazole53988-10-6 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-6 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile70291-62-2

Elsewhere

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