Basic information
- CAS
24017-24-1- Standard SMILES
CCOP(=S)(CC)SCN1C(=O)c2ccccc2C1=O- InChIKey
MRNTWTRUPWODMD-UHFFFAOYSA-N- Molecular formula
- C13H16NO3PS2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.03092272
Names & identifiers
- Preferred name
- Phosphonodithioic acid, ethyl-, O-ethyl ester, S-ester with N-(mercaptomethyl)phthalimide
- IUPAC
- 2-[[ethoxy(ethyl)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
- English name
- Ethylphosphonodithioic acid O-ethyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] ester
- Molecular formula
- C13H16NO3PS2
- Molecular weight
- 329.37
Names & synonyms
Guaiphensin carbamate24017-24-1BRN 1541745O-Ethyl-S-(phthalimidomethyl)-ethylphosphonodithioateN-(Mercaptomethyl)phthalimide-S-(O-ethyl)-ethylphosphonodithioatePhosphonodithioic acid, ethyl-, O-ethyl ester, S-ester with N-(mercaptomethyl)phthalimideRefChem:370676s-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl] o-ethyl ethylphosphonodithioateDTXSID00946858Ethylphosphonodithioic acid O-ethyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] esterPhosphonodithioic acid, ethyl-, O-ethyl ester, S-ester with N-(mercaptomethyl)phthalimide (7CI,8CI)
Database identifiers
- CAS
24017-24-1- PubChem CID
- 90339
- DTXSID
DTXSID00946858- Nikkaji
- J50.324J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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