methylsulfanylmethylsulfanylethane

C4H10S2 — CID 525377

IUPACmethylsulfanylmethylsulfanylethane
SMILESCCSCSC
InChIInChI=1S/C4H10S2/c1-3-6-4-5-2/h3-4H2,1-2H3
InChIKeyMZEQTJYSLGYJBH-UHFFFAOYSA-N
MW122.26 g/mol
LogP2.06
Rot. Bonds3

About methylsulfanylmethylsulfanylethane

methylsulfanylmethylsulfanylethane (PubChem CID 525377) has the molecular formula C4H10S2 and a molecular weight of 122.26 g/mol. Its IUPAC name is methylsulfanylmethylsulfanylethane.

Molecular Properties

Compound Namemethylsulfanylmethylsulfanylethane
PubChem CID525377
Molecular FormulaC4H10S2
Molecular Weight122.26 g/mol
Exact Mass122.02
IUPAC Namemethylsulfanylmethylsulfanylethane
SMILESCCSCSC
InChIInChI=1S/C4H10S2/c1-3-6-4-5-2/h3-4H2,1-2H3
InChIKeyMZEQTJYSLGYJBH-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylsulfanylethane?
The IUPAC name of methylsulfanylmethylsulfanylethane (CID 525377) is methylsulfanylmethylsulfanylethane.
What is the SMILES notation for methylsulfanylmethylsulfanylethane?
The canonical SMILES for methylsulfanylmethylsulfanylethane is CCSCSC.
What is the InChIKey of methylsulfanylmethylsulfanylethane?
The InChIKey is MZEQTJYSLGYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2/c1-3-6-4-5-2/h3-4H2,1-2H3.
What are the key properties of methylsulfanylmethylsulfanylethane?
methylsulfanylmethylsulfanylethane has a molecular weight of 122.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylsulfanylethane is sourced from PubChem (CID 525377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).