6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl-

HCID 17362

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Basic information

CAS: 2552-28-5
Standard SMILES: c1ccc(C2OCC3(CO2)CSC3)cc1
InChIKey: VPXKHFQWJYIDSB-UHFFFAOYSA-N
Molecular formula: C12H14O2S
Average molar mass: 222.31 g/mol
Monoisotopic mass: 222.07145086

Names & identifiers

Preferred name: 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl-
IUPAC: 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane

Names & synonyms

BRN 13704496,8-DIOXA-2-THIASPIRO(3.5)NONANE, 7-PHENYL-7-Phenyl-6,8-dioxa-2-thiaspiro(3.5)nonane2552-28-57-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonaneDTXSID501802205-19-09-00193 (Beilstein Handbook Reference)RefChem:306351DTXCID60102711

Database identifiers

CAS: 2552-28-5
PubChem CID: 17362
DTXSID: DTXSID50180220

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 212

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