2-Amino-6-(trifluoromethyl)benzothiazole

C8H5F3N2SCAS 777-12-8218.20 g/mol

Open in Covalent MOL file
FFFSNNH2
Alkyl halidePrimary amine

Properties

Molecular formula
C8H5F3N2S
Molar mass
218.20 g/mol
Exact mass
218.0126 Da
logP
2.90Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
777-12-8
SMILES
C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N
InChIKey
WEDYEBJLWMPPOK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)

Weigh it out

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

Work with 2-Amino-6-(trifluoromethyl)benzothiazole

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-benzothiazole-6-carbonitrile19759-66-150 % similar 2-Amino-5-fluorobenzothiazole20358-07-046 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-146 % similar 2-Amino-benzothiazole-6-carboxylic acid methyl ester66947-92-043 % similar 3,4-Diaminobenzotrifluoride368-71-842 % similar 4-Amino-7-(trifluoromethyl)quinoline243666-11-740 % similar 4-Chloro-6-(trifluoromethyl)quinoline49713-56-640 % similar 2,5-Bis(trifluoromethyl)aniline328-93-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Trifluoromethyl)-1,3-benzothiazol-2-amine60388-38-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook