methylsulfinylsulfinylmethane

C2H6O2S2 — CID 13107247

IUPACmethylsulfinylsulfinylmethane
SMILESCS(=O)S(C)=O
InChIInChI=1S/C2H6O2S2/c1-5(3)6(2)4/h1-2H3
InChIKeyCRUCMBRORARQSI-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.34
Rot. Bonds1

About methylsulfinylsulfinylmethane

methylsulfinylsulfinylmethane (PubChem CID 13107247) has the molecular formula C2H6O2S2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methylsulfinylsulfinylmethane.

Molecular Properties

Compound Namemethylsulfinylsulfinylmethane
PubChem CID13107247
Molecular FormulaC2H6O2S2
Molecular Weight126.20 g/mol
Exact Mass125.98
IUPAC Namemethylsulfinylsulfinylmethane
SMILESCS(=O)S(C)=O
InChIInChI=1S/C2H6O2S2/c1-5(3)6(2)4/h1-2H3
InChIKeyCRUCMBRORARQSI-UHFFFAOYSA-N
XLogP-0.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylsulfinylmethane?
The IUPAC name of methylsulfinylsulfinylmethane (CID 13107247) is methylsulfinylsulfinylmethane.
What is the SMILES notation for methylsulfinylsulfinylmethane?
The canonical SMILES for methylsulfinylsulfinylmethane is CS(=O)S(C)=O.
What is the InChIKey of methylsulfinylsulfinylmethane?
The InChIKey is CRUCMBRORARQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S2/c1-5(3)6(2)4/h1-2H3.
What are the key properties of methylsulfinylsulfinylmethane?
methylsulfinylsulfinylmethane has a molecular weight of 126.20 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylsulfinylmethane is sourced from PubChem (CID 13107247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).