1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane

C8H18OS2 — CID 560429

IUPAC1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane
SMILESCCSCCOCCSCC
InChIInChI=1S/C8H18OS2/c1-3-10-7-5-9-6-8-11-4-2/h3-8H2,1-2H3
InChIKeyNZLCDJADEWGUAX-UHFFFAOYSA-N
MW194.36 g/mol
LogP2.51
Rot. Bonds8

About 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane

1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane (PubChem CID 560429) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane
PubChem CID560429
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane
SMILESCCSCCOCCSCC
InChIInChI=1S/C8H18OS2/c1-3-10-7-5-9-6-8-11-4-2/h3-8H2,1-2H3
InChIKeyNZLCDJADEWGUAX-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane?
The IUPAC name of 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane (CID 560429) is 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane.
What is the SMILES notation for 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane?
The canonical SMILES for 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane is CCSCCOCCSCC.
What is the InChIKey of 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane?
The InChIKey is NZLCDJADEWGUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS2/c1-3-10-7-5-9-6-8-11-4-2/h3-8H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane?
1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane has a molecular weight of 194.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane is sourced from PubChem (CID 560429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).