1-(methyldisulfanyl)but-2-ene

C5H10S2 — CID 57199652

IUPAC1-(methyldisulfanyl)but-2-ene
SMILESCC=CCSSC
InChIInChI=1S/C5H10S2/c1-3-4-5-7-6-2/h3-4H,5H2,1-2H3
InChIKeyWFWKCJKGHQLSIR-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.57
Rot. Bonds3

About 1-(methyldisulfanyl)but-2-ene

1-(methyldisulfanyl)but-2-ene (PubChem CID 57199652) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 1-(methyldisulfanyl)but-2-ene.

Molecular Properties

Compound Name1-(methyldisulfanyl)but-2-ene
PubChem CID57199652
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name1-(methyldisulfanyl)but-2-ene
SMILESCC=CCSSC
InChIInChI=1S/C5H10S2/c1-3-4-5-7-6-2/h3-4H,5H2,1-2H3
InChIKeyWFWKCJKGHQLSIR-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)but-2-ene?
The IUPAC name of 1-(methyldisulfanyl)but-2-ene (CID 57199652) is 1-(methyldisulfanyl)but-2-ene.
What is the SMILES notation for 1-(methyldisulfanyl)but-2-ene?
The canonical SMILES for 1-(methyldisulfanyl)but-2-ene is CC=CCSSC.
What is the InChIKey of 1-(methyldisulfanyl)but-2-ene?
The InChIKey is WFWKCJKGHQLSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-3-4-5-7-6-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-(methyldisulfanyl)but-2-ene?
1-(methyldisulfanyl)but-2-ene has a molecular weight of 134.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)but-2-ene is sourced from PubChem (CID 57199652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).