1-(3-Chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea

HCID 899244

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Basic information

CAS: 516459-06-6
Standard SMILES: Cc1c(Cl)cccc1NC(=S)NCCc1ccc(F)cc1
InChIKey: RQSYXKRSEJUGEF-UHFFFAOYSA-N
Molecular formula: C16H16ClFN2S
Average molar mass: 322.8 g/mol
Monoisotopic mass: 322.0706755

Names & identifiers

Preferred name: 1-(3-Chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
IUPAC: 1-(3-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea

Names & synonyms

1-(3-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea516459-06-6N-(3-Chloro-2-methylphenyl)-N'-[2-(4-fluorophenyl)ethyl]thioureaMLS001183868CHEMBL1483389DTXSID001321554HMS2848A21STK142847AKOS002334514SMR000502965ST507635861-(3-chloro-2-methylphenyl)-3-(4-fluorophenethyl)thiourea

Show more names

[(3-chloro-2-methylphenyl)amino]{[2-(4-fluorophenyl)ethyl]amino}methane-1-thio ne

Database identifiers

CAS: 516459-06-6
PubChem CID: 899244
DTXSID: DTXSID001321554
ChEMBL: CHEMBL1483389

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 334

Experimental & physicochemical properties

Solubility1.2 [ug/mL] (The mean of the results at pH 7.4)

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