1-(4-Bromophenyl)-3-ethylthiourea

HCID 698339

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Basic information

CAS: 61449-57-8
Standard SMILES: CCNC(=S)Nc1ccc(Br)cc1
InChIKey: QFHYYURUMNLDOY-UHFFFAOYSA-N
Molecular formula: C9H11BrN2S
Average molar mass: 259.17 g/mol
Monoisotopic mass: 257.98263

Names & identifiers

Preferred name: 1-(4-Bromophenyl)-3-ethylthiourea
IUPAC: 1-(4-bromophenyl)-3-ethylthiourea

Names & synonyms

ST024179[(4-bromophenyl)amino](ethylamino)methane-1-thione1-(4-bromophenyl)-3-ethylthiourea61449-57-8SCHEMBL11072927DTXSID50351352N-(4-Bromophenyl)-N'-ethylthioureaSBB000974AKOS003313916

Database identifiers

CAS: 61449-57-8
PubChem CID: 698339
DTXSID: DTXSID50351352

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 167

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