Basic information
- CAS
78-64-8- Standard SMILES
CCCCCCOP(=S)(S)OCCCCCC- InChIKey
VFXJDWTUUZBKKT-UHFFFAOYSA-N- Molecular formula
- C12H27O2PS2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.11900944
Names & identifiers
- Preferred name
- O,O-Dihexyl dithiophosphate
- IUPAC
- dihexoxy-sulfanyl-sulfanylidene-λ5-phosphane
- English name
- O,O-dihexyl hydrogen dithiophosphate
- Molecular formula
- C12H28O2PS2
- Molecular weight
- 299.453281
Names & synonyms
O,O-Dihexyl hydrogen dithiophosphateO,O-Dihexyl dithiophosphate18Y0GNW28GEINECS 201-129-7UNII-18Y0GNW28GPhosphorodithioic acid, O,O-dihexyl esterCMS-42DTXSID60228647O,O-DIHEXYL PHOSPHORODITHIOATERefChem:202341DTXCID1015113878-64-8
Show more names
Dithiophosphoric acid O,O-dihexyl esterPhosphorodithioic acid O,O-dihexyl esterdihexoxy-sulfanyl-sulfanylidene-λ5-phosphane
SCHEMBL1262956VFXJDWTUUZBKKT-UHFFFAOYSA-NO,O'-dihexyl dithiophosphoric acidO,O-Dihexyl hydrogen phosphorodithioateO,O-dihexyl S-hydrogen phosphorodithioateNS00041013
Database identifiers
- CAS
78-64-8- PubChem CID
- 18680
- DTXSID
DTXSID60228647- UNII
- 18Y0GNW28G
- EC Number
- 201-129-7
- Nikkaji
- J192.568G
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- FDA UNII
- 18 Y0GNW28G · 18Y0GNW28G
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphorodithioic acid, O,O-dihexyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers3 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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