2,2-Dimethyl-6-phenylsulfanyl-2H-chromene

HCID 10539863

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Basic information

CAS: 185316-61-4
Standard SMILES: CC1(C)C=Cc2cc(Sc3ccccc3)ccc2O1
InChIKey: ZYDGZMQYPKPDCW-UHFFFAOYSA-N
Molecular formula: C17H16OS
Average molar mass: 268.4 g/mol
Monoisotopic mass: 268.09218613

Names & identifiers

Preferred name: 2,2-Dimethyl-6-phenylsulfanyl-2H-chromene
IUPAC: 2,2-dimethyl-6-phenylsulfanylchromene

Names & synonyms

2,2-Dimethyl-6-phenylsulfanyl-2H-chromene185316-61-4SCHEMBL482060DTXSID00441515ZYDGZMQYPKPDCW-UHFFFAOYSA-N2,2-Dimethyl-6-(phenylsulfanyl)-2H-1-benzopyran

Database identifiers

CAS: 185316-61-4
PubChem CID: 10539863
DTXSID: DTXSID00441515

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 330

Related reactions

2 records

New reaction record

HRID 1159625As productuspto-grants-2010_10

HRID 1175036As productuspto-grants-2010_11

Compound notes

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