2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione

C11H12NO4PS2 — CID 12901

IUPAC2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione
SMILESCOP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
InChIKeyLMNZTLDVJIUSHT-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.49
Rot. Bonds5

About 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione

2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione (PubChem CID 12901) has the molecular formula C11H12NO4PS2 and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione
PubChem CID12901
Molecular FormulaC11H12NO4PS2
Molecular Weight317.33 g/mol
Exact Mass316.99
IUPAC Name2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione
SMILESCOP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
InChIKeyLMNZTLDVJIUSHT-UHFFFAOYSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dialifor
CID 25146
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
N-Methylphthalimide
CID 11074
Ditalimfos
CID 21207
Phosmet oxon
CID 77323
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-Carbethoxyphthalimide
CID 31187
N-Cyclohexylphthalimide
CID 225739

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione (CID 12901) is 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione is COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione?
The InChIKey is LMNZTLDVJIUSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3.
What are the key properties of 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione?
2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione has a molecular weight of 317.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 12901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).