1-(ethyldisulfanyl)but-2-yne

C6H10S2 — CID 59718463

IUPAC1-(ethyldisulfanyl)but-2-yne
SMILESCC#CCSSCC
InChIInChI=1S/C6H10S2/c1-3-5-6-8-7-4-2/h4,6H2,1-2H3
InChIKeyAERXPNYVZMFPAB-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.41
Rot. Bonds3

About 1-(ethyldisulfanyl)but-2-yne

1-(ethyldisulfanyl)but-2-yne (PubChem CID 59718463) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)but-2-yne.

Molecular Properties

Compound Name1-(ethyldisulfanyl)but-2-yne
PubChem CID59718463
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name1-(ethyldisulfanyl)but-2-yne
SMILESCC#CCSSCC
InChIInChI=1S/C6H10S2/c1-3-5-6-8-7-4-2/h4,6H2,1-2H3
InChIKeyAERXPNYVZMFPAB-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.41
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)but-2-yne?
The IUPAC name of 1-(ethyldisulfanyl)but-2-yne (CID 59718463) is 1-(ethyldisulfanyl)but-2-yne.
What is the SMILES notation for 1-(ethyldisulfanyl)but-2-yne?
The canonical SMILES for 1-(ethyldisulfanyl)but-2-yne is CC#CCSSCC.
What is the InChIKey of 1-(ethyldisulfanyl)but-2-yne?
The InChIKey is AERXPNYVZMFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-3-5-6-8-7-4-2/h4,6H2,1-2H3.
What are the key properties of 1-(ethyldisulfanyl)but-2-yne?
1-(ethyldisulfanyl)but-2-yne has a molecular weight of 146.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)but-2-yne is sourced from PubChem (CID 59718463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).