1-(ethyldisulfanyl)propan-2-ylcyclopropane

C8H16S2 — CID 159589425

IUPAC1-(ethyldisulfanyl)propan-2-ylcyclopropane
SMILESCCSSCC(C)C1CC1
InChIInChI=1S/C8H16S2/c1-3-9-10-6-7(2)8-4-5-8/h7-8H,3-6H2,1-2H3
InChIKeyYUPAOHSOEHCEDZ-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.43
Rot. Bonds5

About 1-(ethyldisulfanyl)propan-2-ylcyclopropane

1-(ethyldisulfanyl)propan-2-ylcyclopropane (PubChem CID 159589425) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)propan-2-ylcyclopropane
PubChem CID159589425
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name1-(ethyldisulfanyl)propan-2-ylcyclopropane
SMILESCCSSCC(C)C1CC1
InChIInChI=1S/C8H16S2/c1-3-9-10-6-7(2)8-4-5-8/h7-8H,3-6H2,1-2H3
InChIKeyYUPAOHSOEHCEDZ-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)propan-2-ylcyclopropane?
The IUPAC name of 1-(ethyldisulfanyl)propan-2-ylcyclopropane (CID 159589425) is 1-(ethyldisulfanyl)propan-2-ylcyclopropane.
What is the SMILES notation for 1-(ethyldisulfanyl)propan-2-ylcyclopropane?
The canonical SMILES for 1-(ethyldisulfanyl)propan-2-ylcyclopropane is CCSSCC(C)C1CC1.
What is the InChIKey of 1-(ethyldisulfanyl)propan-2-ylcyclopropane?
The InChIKey is YUPAOHSOEHCEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-3-9-10-6-7(2)8-4-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(ethyldisulfanyl)propan-2-ylcyclopropane?
1-(ethyldisulfanyl)propan-2-ylcyclopropane has a molecular weight of 176.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)propan-2-ylcyclopropane is sourced from PubChem (CID 159589425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).