1-Ethyl-3-(4-fluorophenyl)thiourea

HCID 698342

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Basic information

CAS: 61449-56-7
Standard SMILES: CCNC(=S)Nc1ccc(F)cc1
InChIKey: XRVNUUHZOBJAQT-UHFFFAOYSA-N
Molecular formula: C9H11FN2S
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.06269769

Names & identifiers

Preferred name: 1-Ethyl-3-(4-fluorophenyl)thiourea
IUPAC: 1-ethyl-3-(4-fluorophenyl)thiourea

Names & synonyms

1-ethyl-3-(4-fluorophenyl)thiourea(ethylamino)[(4-fluorophenyl)amino]methane-1-thione61449-56-7TimTec1_001710SCHEMBL6096417DTXSID70351354XRVNUUHZOBJAQT-UHFFFAOYSA-NHMS1538N16SBB000373N-Ethyl-N'-(4-fluorophenyl)thioureaAKOS003270989N-ethyl-N'-(4-fluorophenyl) thiourea

Show more names

NCGC00174144-01ST024181

Database identifiers

CAS: 61449-56-7
PubChem CID: 698342
DTXSID: DTXSID70351354

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 167

Related reactions

1 records

New reaction record

HRID 720484As reactantuspto-grants-2006_11

Compound notes

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