1,2-bis(methylsulfonylsulfanyl)ethane

C4H10O4S4 — CID 564320

IUPAC1,2-bis(methylsulfonylsulfanyl)ethane
SMILESCS(=O)(=O)SCCSS(C)(=O)=O
InChIInChI=1S/C4H10O4S4/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3
InChIKeyGTLRPXXCQSUDLL-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.37
Rot. Bonds5

About 1,2-bis(methylsulfonylsulfanyl)ethane

1,2-bis(methylsulfonylsulfanyl)ethane (PubChem CID 564320) has the molecular formula C4H10O4S4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1,2-bis(methylsulfonylsulfanyl)ethane.

Molecular Properties

Compound Name1,2-bis(methylsulfonylsulfanyl)ethane
PubChem CID564320
Molecular FormulaC4H10O4S4
Molecular Weight250.39 g/mol
Exact Mass249.95
IUPAC Name1,2-bis(methylsulfonylsulfanyl)ethane
SMILESCS(=O)(=O)SCCSS(C)(=O)=O
InChIInChI=1S/C4H10O4S4/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3
InChIKeyGTLRPXXCQSUDLL-UHFFFAOYSA-N
XLogP0.37
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane
CID 5047788
CID 171042466
CID 171042466
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
3-methyl-3-(2-methylsulfonylsulfanylethyl)diazirine
CID 154701091
triethyl(2-methylsulfonylsulfanylethyl)azanium bromide
CID 71752722
3-methylsulfonylsulfanylpropanoyl chloride
CID 169436267
methylsulfonylsulfanylmethanamine
CID 4133024
triethyl(6-methylsulfonylsulfanylhexyl)azanium bromide
CID 46783166
trimethyl(methylsulfonylsulfanylmethyl)azanium bromide
CID 46783192
trihexyl(3-methylsulfonylsulfanylpropyl)azanium bromide
CID 71752782
trihexyl(6-methylsulfonylsulfanylhexyl)azanium bromide
CID 57369205

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methylsulfonylsulfanyl)ethane?
The IUPAC name of 1,2-bis(methylsulfonylsulfanyl)ethane (CID 564320) is 1,2-bis(methylsulfonylsulfanyl)ethane.
What is the SMILES notation for 1,2-bis(methylsulfonylsulfanyl)ethane?
The canonical SMILES for 1,2-bis(methylsulfonylsulfanyl)ethane is CS(=O)(=O)SCCSS(C)(=O)=O.
What is the InChIKey of 1,2-bis(methylsulfonylsulfanyl)ethane?
The InChIKey is GTLRPXXCQSUDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S4/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3.
What are the key properties of 1,2-bis(methylsulfonylsulfanyl)ethane?
1,2-bis(methylsulfonylsulfanyl)ethane has a molecular weight of 250.39 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methylsulfonylsulfanyl)ethane is sourced from PubChem (CID 564320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).