2-Amino-4,6-difluorobenzothiazole

C₇H₄F₂N₂SCAS 119256-40-5186.18 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₄F₂N₂S
Molar mass: 186.18 g/mol
Exact mass: 186.0063 Da
logP: 2.16Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

119256-40-5

SMILES

C1=C(C=C2C(=C1F)N=C(S2)N)F

InChIKey

DDKKXSCVPKDRRS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)

Weigh it out

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

Names and synonyms

1 names

4,6-Difluoro-1,3-benzothiazol-2-amine

Work with 2-Amino-4,6-difluorobenzothiazole

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-Amino-5-fluorobenzothiazole20358-07-049 % similar 2,4,6-Trifluorobenzenamine363-81-541 % similar 2,4,6-Trifluorobenzylamine214759-21-437 % similar 2-Bromo-1,3,5-trifluorobenzene2367-76-236 % similar 1,2-Diamino-3,5-difluorobenzene2369-29-136 % similar 2,3,5-Trifluoroaniline363-80-436 % similar 3,5-Difluoropyridin-2-amine732306-31-935 % similar 5-(Trifluoromethyl)-1,3-benzothiazol-2-amine60388-38-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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