Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester
Basic information
- CAS
3309-78-2- Standard SMILES
C#CCSP(=O)(OCC)OCC- InChIKey
YWNBQUFJHSECNB-UHFFFAOYSA-N- Molecular formula
- C7H13O3PS
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.03230244
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester
- IUPAC
- 3-diethoxyphosphorylsulfanylprop-1-yne
Names & synonyms
3309-78-2RefChem:1095482Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl esterMonsanto CP-11549Ethyl 2-propynyl phosphorothioateO,O-Diethyl S-(2-propynyl)phosphorothioateo,o-diethyl s-prop-2-yn-1-yl phosphorothioateENT 24,949BRN 1909122Phosphorothioic acid, O,O-diethyl S-2-propynyl ester2-Propyne-1-thiol, S-ester with O,O-diethyl phosphorothioatediethyl S-propargyl thiophosphate
Show more names
DTXSID50954721O,O-diethyl S-(2-propynyl) thiophosphateO,O-Diethyl S-(prop-2-yn-1-yl) phosphorothioate
Database identifiers
- CAS
3309-78-2- PubChem CID
- 76817
- DTXSID
DTXSID50954721- Nikkaji
- J53.831K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
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Related reactions
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Compound notes
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