1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

C10H9NO2S2 — CID 11276485

IUPAC1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCSC1=C(c2cccs2)C(=O)N(C)C1=O
InChIInChI=1S/C10H9NO2S2/c1-11-9(12)7(6-4-3-5-15-6)8(14-2)10(11)13/h3-5H,1-2H3
InChIKeyDTPOWLYJXJVUCR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.82
Rot. Bonds2

About 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 11276485) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID11276485
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCSC1=C(c2cccs2)C(=O)N(C)C1=O
InChIInChI=1S/C10H9NO2S2/c1-11-9(12)7(6-4-3-5-15-6)8(14-2)10(11)13/h3-5H,1-2H3
InChIKeyDTPOWLYJXJVUCR-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 11276485) is 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is CSC1=C(c2cccs2)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is DTPOWLYJXJVUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-11-9(12)7(6-4-3-5-15-6)8(14-2)10(11)13/h3-5H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 239.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 11276485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).