O-propan-2-yl [2-oxo-2-(4-phenylphenyl)ethyl]sulfanylmethanethioate

HCID 308205

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Basic information

CAS: 42574-09-4
Standard SMILES: CC(C)OC(=S)SCC(=O)c1ccc(-c2ccccc2)cc1
InChIKey: KJEAREBGAZHABP-UHFFFAOYSA-N
Molecular formula: C18H18O2S2
Average molar mass: 330.5 g/mol
Monoisotopic mass: 330.07482216

Names & identifiers

Preferred name: O-propan-2-yl [2-oxo-2-(4-phenylphenyl)ethyl]sulfanylmethanethioate
IUPAC: O-propan-2-yl [2-oxo-2-(4-phenylphenyl)ethyl]sulfanylmethanethioate

Names & synonyms

42574-09-4NSC208894O-propan-2-yl [2-oxo-2-(4-phenylphenyl)ethyl]sulfanylmethanethioateDTXSID90308769NSC-208894S-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl] O-(propan-2-yl) carbonodithioate

Database identifiers

CAS: 42574-09-4
PubChem CID: 308205
DTXSID: DTXSID90308769

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 83.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 367

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