dimethylsulfanium;pyrrolidine-2,5-dione;chloride

C6H12ClNO2S — CID 22025404

IUPACdimethylsulfanium;pyrrolidine-2,5-dione;chloride
SMILESC[SH+]C.O=C1CCC(=O)N1.[Cl-]
InChIInChI=1S/C4H5NO2.C2H6S.ClH/c6-3-1-2-4(7)5-3;1-3-2;/h1-2H2,(H,5,6,7);1-2H3;1H
InChIKeyFNHVKAQQUJKMSZ-UHFFFAOYSA-N
MW197.69 g/mol
LogP-3.51
Rot. Bonds

About dimethylsulfanium;pyrrolidine-2,5-dione;chloride

dimethylsulfanium;pyrrolidine-2,5-dione;chloride (PubChem CID 22025404) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is dimethylsulfanium;pyrrolidine-2,5-dione;chloride.

Molecular Properties

Compound Namedimethylsulfanium;pyrrolidine-2,5-dione;chloride
PubChem CID22025404
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Namedimethylsulfanium;pyrrolidine-2,5-dione;chloride
SMILESC[SH+]C.O=C1CCC(=O)N1.[Cl-]
InChIInChI=1S/C4H5NO2.C2H6S.ClH/c6-3-1-2-4(7)5-3;1-3-2;/h1-2H2,(H,5,6,7);1-2H3;1H
InChIKeyFNHVKAQQUJKMSZ-UHFFFAOYSA-N
XLogP-3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 5-3.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylsulfanium;pyrrolidine-2,5-dione;chloride?
The IUPAC name of dimethylsulfanium;pyrrolidine-2,5-dione;chloride (CID 22025404) is dimethylsulfanium;pyrrolidine-2,5-dione;chloride.
What is the SMILES notation for dimethylsulfanium;pyrrolidine-2,5-dione;chloride?
The canonical SMILES for dimethylsulfanium;pyrrolidine-2,5-dione;chloride is C[SH+]C.O=C1CCC(=O)N1.[Cl-].
What is the InChIKey of dimethylsulfanium;pyrrolidine-2,5-dione;chloride?
The InChIKey is FNHVKAQQUJKMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H6S.ClH/c6-3-1-2-4(7)5-3;1-3-2;/h1-2H2,(H,5,6,7);1-2H3;1H.
What are the key properties of dimethylsulfanium;pyrrolidine-2,5-dione;chloride?
dimethylsulfanium;pyrrolidine-2,5-dione;chloride has a molecular weight of 197.69 g/mol, XLogP of -3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsulfanium;pyrrolidine-2,5-dione;chloride is sourced from PubChem (CID 22025404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).