chempirical

3-(Trifluoromethyl)phenylthiourea

C8H7F3N2SCAS 1736-70-5220.21 g/mol

Open in Covalent MOL file
NHSH2NFFF
Alkyl halide

Properties

Molecular formula
C8H7F3N2S
Molar mass
220.21 g/mol
Exact mass
220.0282 Da
logP
2.36Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
1736-70-5
SMILES
C1=CC(=CC(=C1)NC(=S)N)C(F)(F)F
InChIKey
WKRUQAYFMKZMPJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2S/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)

Weigh it out

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

Work with 3-(Trifluoromethyl)phenylthiourea

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

1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-570 % similar [3-(Trifluoromethyl)phenyl]hydrazine368-78-559 % similar 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea21714-35-257 % similar (3-Hydroxyphenyl)thiourea3394-05-657 % similar 3-Trifluoromethylphenylhydrazine hydrochloride3107-33-354 % similar 1-(3-Carboxyphenyl)-2-thiourea37182-75-550 % similar 3,5-Bis(trifluoromethyl)benzene402-31-348 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-146 % similar

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

Same formula

N-[2-(Trifluoromethyl)phenyl]thiourea1736-71-6 (4-(Trifluoromethyl)phenyl)thiourea1736-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook