1-(2-methylsulfanylphenyl)pyrrole-2,5-dione

C11H9NO2S — CID 708768

IUPAC1-(2-methylsulfanylphenyl)pyrrole-2,5-dione
SMILESCSc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H9NO2S/c1-15-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-7H,1H3
InChIKeyORMUSUFZYXWOKE-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione

1-(2-methylsulfanylphenyl)pyrrole-2,5-dione (PubChem CID 708768) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)pyrrole-2,5-dione
PubChem CID708768
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name1-(2-methylsulfanylphenyl)pyrrole-2,5-dione
SMILESCSc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H9NO2S/c1-15-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-7H,1H3
InChIKeyORMUSUFZYXWOKE-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione
CID 2392352
4-amino-2-(2-methylsulfanylphenyl)isoindole-1,3-dione
CID 86189271
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
(3aR,4R,7R,7aR)-2-(2-methylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98339947
1-(2-methylsulfanylphenyl)imidazolidin-2-one
CID 107647362
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
1-(2-methylsulfanylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 107647379
8-(2-methylsulfanylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 153305774
1-[2-(2,6-dimethylphenyl)phenyl]pyrrole-2,5-dione
CID 67802796
2-(2-ethylsulfanylphenyl)isoindole-1,3-dione
CID 168517377
1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione
CID 141169965
2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
CID 18755844

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione (CID 708768) is 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione is CSc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione?
The InChIKey is ORMUSUFZYXWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-15-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-7H,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione?
1-(2-methylsulfanylphenyl)pyrrole-2,5-dione has a molecular weight of 219.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 708768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).