1,2-bis(2-ethylsulfanylethoxy)ethane

C10H22O2S2 — CID 4197967

IUPAC1,2-bis(2-ethylsulfanylethoxy)ethane
SMILESCCSCCOCCOCCSCC
InChIInChI=1S/C10H22O2S2/c1-3-13-9-7-11-5-6-12-8-10-14-4-2/h3-10H2,1-2H3
InChIKeyXFEYIZHMASOGJO-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.53
Rot. Bonds11

About 1,2-bis(2-ethylsulfanylethoxy)ethane

1,2-bis(2-ethylsulfanylethoxy)ethane (PubChem CID 4197967) has the molecular formula C10H22O2S2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1,2-bis(2-ethylsulfanylethoxy)ethane.

Molecular Properties

Compound Name1,2-bis(2-ethylsulfanylethoxy)ethane
PubChem CID4197967
Molecular FormulaC10H22O2S2
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name1,2-bis(2-ethylsulfanylethoxy)ethane
SMILESCCSCCOCCOCCSCC
InChIInChI=1S/C10H22O2S2/c1-3-13-9-7-11-5-6-12-8-10-14-4-2/h3-10H2,1-2H3
InChIKeyXFEYIZHMASOGJO-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,2-bis(2-ethylsulfanylethoxy)ethane?
The IUPAC name of 1,2-bis(2-ethylsulfanylethoxy)ethane (CID 4197967) is 1,2-bis(2-ethylsulfanylethoxy)ethane.
What is the SMILES notation for 1,2-bis(2-ethylsulfanylethoxy)ethane?
The canonical SMILES for 1,2-bis(2-ethylsulfanylethoxy)ethane is CCSCCOCCOCCSCC.
What is the InChIKey of 1,2-bis(2-ethylsulfanylethoxy)ethane?
The InChIKey is XFEYIZHMASOGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S2/c1-3-13-9-7-11-5-6-12-8-10-14-4-2/h3-10H2,1-2H3.
What are the key properties of 1,2-bis(2-ethylsulfanylethoxy)ethane?
1,2-bis(2-ethylsulfanylethoxy)ethane has a molecular weight of 238.42 g/mol, XLogP of 2.53, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-ethylsulfanylethoxy)ethane is sourced from PubChem (CID 4197967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).