chempirical

1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea

C9H6F6N2SCAS 175277-17-5288.21 g/mol

Open in Covalent MOL file
FFFNHSNH2FFF
Alkyl halide

Properties

Molecular formula
C9H6F6N2S
Molar mass
288.21 g/mol
Exact mass
288.0156 Da
logP
3.38Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
175277-17-5
SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=S)N)C(F)(F)F
InChIKey
CWRWOECVPKDZIC-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F6N2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3H,(H3,16,17,18)

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

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea

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

3,5-Dichlorophenylthiourea107707-33-552 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-147 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-542 % similar [3-(Trifluoromethyl)phenyl]hydrazine368-78-539 % similar N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamide38901-31-438 % similar 3,5-Bis(trifluoromethyl)benzylamine85068-29-738 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-738 % similar Tris[3,5-bis(trifluoromethyl)phenyl]phosphine175136-62-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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