2-Ethoxy-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphospholane-2-thione

HCID 55053

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Basic information

CAS: 83627-22-9
Standard SMILES: CCOP1(=S)OC(C)(C)CC1(C)O
InChIKey: YBNOVEDAESLFMJ-UHFFFAOYSA-N
Molecular formula: C8H17O3PS
Average molar mass: 224.26 g/mol
Monoisotopic mass: 224.06360257

Names & identifiers

Preferred name: 2-Ethoxy-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphospholane-2-thione
IUPAC: 2-ethoxy-3,5,5-trimethyl-2-sulfanylidene-1,2λ5-oxaphospholan-3-ol

Names & synonyms

83627-22-9DTXSID6010036092-Ethoxy-3-hydroxy-3,5,5-trimethyl-1,2lambda~5~-oxaphospholane-2-thioneRefChem:1062992DTXCID501430518cis-2-Ethoxy-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-sulfide1,2-OXAPHOSPHOLAN-3-OL, 2-ETHOXY-3,5,5-TRIMETHYL-, 2-SULFIDE, cis-

Database identifiers

CAS: 83627-22-9
PubChem CID: 55053
DTXSID: DTXSID601003609

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 254

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