1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane

C16H34O4S4 — CID 58104761

IUPAC1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane
SMILESCSCCOCCSCCOCCOCCSCCOCCSC
InChIInChI=1S/C16H34O4S4/c1-21-11-5-19-9-15-23-13-7-17-3-4-18-8-14-24-16-10-20-6-12-22-2/h3-16H2,1-2H3
InChIKeyYXBRTBXGRXVLMV-UHFFFAOYSA-N
MW418.71 g/mol
LogP3.25
Rot. Bonds21

About 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane

1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane (PubChem CID 58104761) has the molecular formula C16H34O4S4 and a molecular weight of 418.71 g/mol. Its IUPAC name is 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane.

Molecular Properties

Compound Name1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane
PubChem CID58104761
Molecular FormulaC16H34O4S4
Molecular Weight418.71 g/mol
Exact Mass418.13
IUPAC Name1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane
SMILESCSCCOCCSCCOCCOCCSCCOCCSC
InChIInChI=1S/C16H34O4S4/c1-21-11-5-19-9-15-23-13-7-17-3-4-18-8-14-24-16-10-20-6-12-22-2/h3-16H2,1-2H3
InChIKeyYXBRTBXGRXVLMV-UHFFFAOYSA-N
XLogP3.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane?
The IUPAC name of 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane (CID 58104761) is 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane.
What is the SMILES notation for 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane?
The canonical SMILES for 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane is CSCCOCCSCCOCCOCCSCCOCCSC.
What is the InChIKey of 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane?
The InChIKey is YXBRTBXGRXVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4S4/c1-21-11-5-19-9-15-23-13-7-17-3-4-18-8-14-24-16-10-20-6-12-22-2/h3-16H2,1-2H3.
What are the key properties of 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane?
1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane has a molecular weight of 418.71 g/mol, XLogP of 3.25, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane is sourced from PubChem (CID 58104761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).