2-Hydrazino-4-methylbenzothiazole

C₈H₉N₃SCAS 20174-68-9179.24 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₈H₉N₃S
Molar mass: 179.24 g/mol
Exact mass: 179.0517 Da
Melting point: 167–169 °C
logP: 1.89Crippen estimate
Polar surface area: 50.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

20174-68-9

SMILES

Cc1cccc2sc(NN)nc12

InChIKey

DYWNRVWOUASMDT-UHFFFAOYSA-N

InChI

InChI=1S/C8H9N3S/c1-5-3-2-4-6-7(5)10-8(11-9)12-6/h2-4H,9H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

10 names

Benzothiazole, 2-hydrazinyl-4-methyl-
Benzothiazole, 2-hydrazino-4-methyl-
2(3H)-Benzothiazolone, 4-methyl-, hydrazone
2-Hydrazinyl-4-methylbenzothiazole
2-Hydrazino-4-methyl-1,3-benzothiazole
4-Methyl-2-hydrazinobenzothiazole
4-Methyl-2-benzothiazolyl hydrazine
(4-Methyl-1,3-benzothiazol-2-yl)hydrazine
(4-Methyl-benzothiazol-2-yl)-hydrazine
2-Hydrazinyl-4-methyl-1,3-benzothiazole

Work with 2-Hydrazino-4-methylbenzothiazole

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-Chloro-4-methylbenzothiazole3622-32-057 % similar 2-Hydrazinylbenzothiazole615-21-451 % similar 2,6-Xylidine87-62-736 % similar 2,8-Dimethylquinoline1463-17-836 % similar 2,3-Dimethylphenylhydrazine hydrochloride56737-75-835 % similar 5-Methylquinoxaline13708-12-834 % similar 8-Methylquinoline611-32-534 % similar 2-Methylphenylhydrazine hydrochloride635-26-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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