2-diethoxyphosphinothioylisoindole-1,3-dione

C12H14NO4PS — CID 21207

IUPAC2-diethoxyphosphinothioylisoindole-1,3-dione
SMILESCCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
InChIKeyMTBZIGHNGSTDJV-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.58
Rot. Bonds5

About 2-diethoxyphosphinothioylisoindole-1,3-dione

2-diethoxyphosphinothioylisoindole-1,3-dione (PubChem CID 21207) has the molecular formula C12H14NO4PS and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-diethoxyphosphinothioylisoindole-1,3-dione.

Molecular Properties

Compound Name2-diethoxyphosphinothioylisoindole-1,3-dione
PubChem CID21207
Molecular FormulaC12H14NO4PS
Molecular Weight299.29 g/mol
Exact Mass299.04
IUPAC Name2-diethoxyphosphinothioylisoindole-1,3-dione
SMILESCCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
InChIKeyMTBZIGHNGSTDJV-UHFFFAOYSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Phosmet
CID 12901
Folpet
CID 8607
Dialifor
CID 25146
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
Phosmet oxon
CID 77323
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphinothioylisoindole-1,3-dione?
The IUPAC name of 2-diethoxyphosphinothioylisoindole-1,3-dione (CID 21207) is 2-diethoxyphosphinothioylisoindole-1,3-dione.
What is the SMILES notation for 2-diethoxyphosphinothioylisoindole-1,3-dione?
The canonical SMILES for 2-diethoxyphosphinothioylisoindole-1,3-dione is CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-diethoxyphosphinothioylisoindole-1,3-dione?
The InChIKey is MTBZIGHNGSTDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphinothioylisoindole-1,3-dione?
2-diethoxyphosphinothioylisoindole-1,3-dione has a molecular weight of 299.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphinothioylisoindole-1,3-dione is sourced from PubChem (CID 21207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).