Basic information
- CAS
24017-18-3- Standard SMILES
CC(C)COP(C)(=S)SCN1C(=O)c2ccccc2C1=O- InChIKey
OGDPHEQKSQMITI-UHFFFAOYSA-N- Molecular formula
- C14H18NO3PS2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.04657278
Names & identifiers
- Preferred name
- Phosphonodithioic acid, methyl-, O-isobutyl ester, S-ester with N-(mercaptomethyl)phthalimide
- IUPAC
- 2-[[methyl(2-methylpropoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
- English name
- Methylphosphonodithioic acid O-isobutyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] ester
- Molecular formula
- C14H18NO3PS2
- Molecular weight
- 343.4
Names & synonyms
BRN 148944124017-18-3O-Isobutyl-S-(phthalimidomethyl)-methylphosphonodithioateN-(Mercaptomethyl)phthalimide-S-(O-isobutyl)-methylphosphonodithioatePhosphonodithioic acid, methyl-, O-isobutyl ester, S-ester with N-(mercaptomethyl)phthalimideRefChem:370690s-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl] o-(2-methylpropyl) methylphosphonodithioateDTXSID80946856Methylphosphonodithioic acid O-isobutyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] esterPhosphonodithioic acid, methyl-, O-isobutyl ester, S-ester with N-(mercaptomethyl)phthalimide (8CI)
Database identifiers
- CAS
24017-18-3- PubChem CID
- 90337
- DTXSID
DTXSID80946856- Nikkaji
- J50.327D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…