Bis(2-methylpropyl)phosphinodithioic acid
Basic information
- CAS
13360-80-0- Standard SMILES
CC(C)CP(=S)(S)CC(C)C- InChIKey
PTZADPBANVYSTR-UHFFFAOYSA-N- Molecular formula
- C8H19PS2
- Average molar mass
- 210.3 g/mol
- Monoisotopic mass
- 210.06657995
Names & identifiers
- Preferred name
- Bis(2-methylpropyl)phosphinodithioic acid
- IUPAC
- bis(2-methylpropyl)-sulfanyl-sulfanylidene-λ5-phosphane
Names & synonyms
bis(2-methylpropyl)phosphinodithioic aciddiisobutyldithiophosphinic acid13360-80-0Diisobutyl dithiophosphinatePhosphinodithioic acid, P,P-bis(2-methylpropyl)-J663.879APhosphinodithioic acid, diisobutyl-UNII-QWX1F257DQQWX1F257DQdiisobutylphosphinodithioic acidPhosphinodithioic acid, bis(2-methylpropyl)-bis(2-methylpropyl)-sulfanyl-sulfanylidene-lambda5-phosphane
Show more names
SCHEMBL226213SCHEMBL9339782CHEMBL3306889DTXSID8045062PTZADPBANVYSTR-UHFFFAOYSA-NAKOS040750809Q27287536
Database identifiers
- CAS
13360-80-0- PubChem CID
- 83376
- DTXSID
DTXSID8045062- ChEMBL
CHEMBL3306889- UNII
- QWX1F257DQ
- Nikkaji
- J663.879A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Collision Cross Section146.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9044798]
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Related reactions
5 records
Compound notes
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