Basic information
- CAS
935-52-4- Standard SMILES
CCC12COP(=S)(OC1)OC2- InChIKey
GHLWKNFZHQLFJX-UHFFFAOYSA-N- Molecular formula
- C6H11O3PS
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.01665238
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide
- IUPAC
- 4-ethyl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane
- English name
- 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-sulfide
- Molecular formula
- C6H11O3PS
- Molecular weight
- 194.19
Names & synonyms
935-52-42,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfideBRN 1909749DTXSID002394541,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)NSC 531392,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-sulfide4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphide1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic O,O,O-ester with phosphorothioic acid1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, CYCLIC PHOSPHOROTHIOATE (1:1)4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-sulphideRefChem:83057
Show more names
ETBICYTHIOT4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-sulfide
DTXCID20161945GHLWKNFZHQLFJX-UHFFFAOYSA-NEtbicythionat224790-71-04-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide2-(Hydroxymethyl)-2-ethyl-1,3-propanediol, cyclic phosphorothioate (1:1)4-ethyl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octanePhosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
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Compound notes
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