1-(4-Bromophenyl)-3-(2-fluorophenyl)thiourea

HCID 976402

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Basic information

CAS: 65551-03-3
Standard SMILES: Fc1ccccc1NC(=S)Nc1ccc(Br)cc1
InChIKey: OTFSLGRMDQRXQJ-UHFFFAOYSA-N
Molecular formula: C13H10BrFN2S
Average molar mass: 325.2 g/mol
Monoisotopic mass: 323.97321

Overview

1-(4-bromophenyl)-3-(2-fluorophenyl)thiourea is a member of thioureas.

Names & identifiers

Preferred name: 1-(4-Bromophenyl)-3-(2-fluorophenyl)thiourea
IUPAC: 1-(4-bromophenyl)-3-(2-fluorophenyl)thiourea

Names & synonyms

1-(4-bromophenyl)-3-(2-fluorophenyl)thiourea65551-03-3Thiourea, N-(4-bromophenyl)-N'-(2-fluorophenyl)-N-(4-bromophenyl)-N'-(2-fluorophenyl)thioureaHMS2537C20MLS000580069CHEMBL1370523DTXSID40359620CHEBI:119968STK982688AKOS003705717SMR000199313

Show more names

Q27207751

Database identifiers

CAS: 65551-03-3
PubChem CID: 976402
DTXSID: DTXSID40359620
ChEMBL: CHEMBL1370523
ChEBI: CHEBI:119968

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 282

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