1-[2-(Phenylcarbonyl)phenyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea

HCID 4770586

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Basic information

CAS: 827594-38-7
Standard SMILES: O=C(c1ccccc1)c1ccccc1NC(=S)NCC1CCCO1
InChIKey: DSGWOIWUPVBSNM-UHFFFAOYSA-N
Molecular formula: C19H20N2O2S
Average molar mass: 340.4 g/mol
Monoisotopic mass: 340.12454906

Names & identifiers

Preferred name: 1-[2-(Phenylcarbonyl)phenyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea
IUPAC: 1-(2-benzoylphenyl)-3-(oxolan-2-ylmethyl)thiourea

Names & synonyms

DTXSID4011831501-[2-(phenylcarbonyl)phenyl]-3-(tetrahydrofuran-2-ylmethyl)thioureaSTL174014ZINC02779584ZINC02779585AKOS003715866827594-38-7N-(2-Benzoylphenyl)-N'-[(oxolan-2-yl)methyl]thioureaN-(2-Benzoylphenyl)-Na(2)-[(tetrahydro-2-furanyl)methyl]thiourea

Database identifiers

CAS: 827594-38-7
PubChem CID: 4770586
DTXSID: DTXSID401183150

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 82.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 437

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