Basic information
- CAS
996-04-3- Standard SMILES
CCCSP(C)(=O)SCCC- InChIKey
OSYTXYVCVORGKQ-UHFFFAOYSA-N- Molecular formula
- C7H17OPS2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.04584451
Names & identifiers
- Preferred name
- Phosphonodithioic acid, methyl-, S,S-dipropyl ester
- IUPAC
- 1-[methyl(propylsulfanyl)phosphoryl]sulfanylpropane
- English name
- VC3-676
- Molecular formula
- C7H17OPS2
- Molecular weight
- 212.316
Names & synonyms
996-04-3Phosphonodithioic acid, methyl-, S,S-dipropyl esterDTXSID70244151RefChem:1095249DTXCID70166642S,S-Dipropyl methylphosphonodithioateV-C Chemical V-C 3-676Virginia-carolina 3-676ENT 25,980BRN 1817210AI3-25980V-C 3-676
Show more names
VC3-676S,S-DIPROPYLMETHYLPHOSPHONODITHIOATES,S-di-n-propylmethyldithiophosphonate
OSYTXYVCVORGKQ-UHFFFAOYSA-NMethyl-phosphonodithioic acid dipropyl ester
Database identifiers
- CAS
996-04-3- PubChem CID
- 70449
- DTXSID
DTXSID70244151- Nikkaji
- J34.664K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials Properties31P nuclear magnetic resonance spectrum
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in rat: 1780ug/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 1780ug/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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