Basic information
- CAS
1081-95-4- Standard SMILES
CCOP(=O)(OCC)SCC1(C)SCCS1- InChIKey
APVJSTCJOJGSPI-UHFFFAOYSA-N- Molecular formula
- C9H19O3PS3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.02339498
Names & identifiers
- Preferred name
- Ent 27294
- IUPAC
- 2-(diethoxyphosphorylsulfanylmethyl)-2-methyl-1,3-dithiolane
- English name
- Phosphorothioic acid O,O-diethyl=S-[(2-methyl-1,3-dithiolan-2-yl)methyl] ester
- Molecular formula
- C9H19O3PS3
- Molecular weight
- 302.414121
Names & synonyms
Stauffer B-104231081-95-4ENT 27,294ENT 27294B-10423DTXSID30148409O,O-Diethyl S-((2-methyl-1,3-dithiolan-2-yl)methyl) phosphorothioatePhosphorothioic acid, O,O-diethyl S-((2-methyl-1,3-dithiolan-2-yl)methyl)estero,o-diethyl s-[(2-methyl-1,3-dithiolan-2-yl)methyl] phosphorothioateRefChem:339611DTXCID4070900Phosphorothioic acid O,O-diethyl=S-[(2-methyl-1,3-dithiolan-2-yl)methyl] ester
Show more names
ENT-27294
2-(diethoxyphosphorylsulfanylmethyl)-2-methyl-1,3-dithiolane
Database identifiers
- CAS
1081-95-4- PubChem CID
- 70658
- DTXSID
DTXSID30148409- Nikkaji
- J34.686A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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