Basic information
- CAS
22608-53-3- Standard SMILES
COP(=O)(SC)SC- InChIKey
NIJIQSOYZWDHAQ-UHFFFAOYSA-N- Molecular formula
- C3H9O2PS2
- Average molar mass
- 172.2 g/mol
- Monoisotopic mass
- 171.97815887
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,S,S-trimethyl ester
- IUPAC
- bis(methylsulfanyl)phosphoryloxymethane
- English name
- O,S,S-trimethyl phosphorodithioate
- Molecular formula
- C3H9O2PS2
- Molecular weight
- 172.21
Names & synonyms
O,S,S-TRIMETHYL PHOSPHORODITHIOATE22608-53-3Phosphorodithioic acid, O,S,S-trimethyl esterO,S,S-trimethylphosphorodithioateI8XMP02C4GDTXSID40177129RefChem:167062DTXCID3099620bis(methylsulfanyl)phosphoryloxymethane(methoxy(methylsulfanyl)phosphoryl)sulfanylmethaneMFCD01705167CCRIS 5583
Show more names
TRIMETHYLPHOSPHORODITHIOATEO,S,S-TRIMETHYLPHOSPHOROTHIOLATEO,S,S-TRI-METHYLPHOSPHORODIOTHIOATEPhosphorodithioic acid O,S,S-trimethyl ester
O,S,S-TrimethylphosphorodithiolateBRN 1816766NIJIQSOYZWDHAQ-UHFFFAOYSA-NUNII-I8XMP02C4GSCHEMBL259963o,S,S-Trimethyl dithiophosphate #AKOS006277647SY533094
Database identifiers
- CAS
22608-53-3- PubChem CID
- 31435
- DTXSID
DTXSID40177129- UNII
- I8XMP02C4G
- Nikkaji
- J34.680B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.5
Physicochemical properties
- Boiling point
- 222.6 · 222.6±23.0 °C(Predicted)
- Density
- 1.25 · 1.2500
- FDA UNII
- 8 XMP02C4G · I8XMP02C4G
Chemistry & industry
Suppliers1 total
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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