Basic information
- CAS
16537-52-3- Standard SMILES
CCP(=S)(OCC(C)C)SCN1C(=O)c2ccccc2C1=O- InChIKey
CDSZITPHFYDYIK-UHFFFAOYSA-N- Molecular formula
- C15H20NO3PS2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.06222284
Names & identifiers
- Preferred name
- Phosphonodithioic acid, ethyl-, O-isobutyl ester, S-ester with N-(mercaptomethyl)phthalimide
- IUPAC
- 2-[[ethyl(2-methylpropoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
- English name
- 2-[[[(2-Methylpropoxy)ethylphosphinothioyl]thio]methyl]-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C15H20NO3PS2
- Molecular weight
- 357.43
Names & synonyms
CasilStauffer N 454316537-52-3ENT-27,015BRN 1491141AI3-27015N 4,543O-Isobutyl-S-(phthalimidomethyl)-ethylphosphonodithioateN-(Mercaptomethyl)phthalimide-S-(O-isobutyl)-ethylphosphonodithioatePhosphonodithioic acid, ethyl-, O-isobutyl ester, S-ester with N-(mercaptomethyl)phthalimideS-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-(2-methylpropyl) ethylphosphonodithioatePhosphonodithioic acid, ethyl-, S-((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-(2-methylpropyl) ester
Show more names
IMF2LMNSN-4543CADASILCADASIL1ENT-27015HGNC:7883Notch homolog 3 (Drosophila)Anti-NOTCH3 (C-terminal) antibody produced in goat
RefChem:3706772-[[ethyl(2-methylpropoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione2-[[[(2-Methylpropoxy)ethylphosphinothioyl]thio]methyl]-1H-isoindole-1,3(2H)-diones-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl] o-(2-methylpropyl) ethylphosphonodithioateSCHEMBL29573129DTXSID40937083
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 58 · 58-60 °C
- Boiling point
- 127 °C · 127 °C
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- -2.6 · -2.60±0.20(Predicted)
- form
- buffered aqueous solution
- biological source
- goat
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
- WGK Germany
- 2 · WGK 2
- Storage Class
- 10 · 10 - Combustible liquids
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
- wgk
- WGK 2
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…