triethyl(ethylsulfanyl)-λ4-sulfane

C8H20S2 — CID 87650235

IUPACtriethyl(ethylsulfanyl)-λ4-sulfane
SMILESCCSS(CC)(CC)CC
InChIInChI=1S/C8H20S2/c1-5-9-10(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyIEGLSOQJHJTLQQ-UHFFFAOYSA-N
MW180.38 g/mol
LogP3.52
Rot. Bonds5

About triethyl(ethylsulfanyl)-λ4-sulfane

triethyl(ethylsulfanyl)-λ4-sulfane (PubChem CID 87650235) has the molecular formula C8H20S2 and a molecular weight of 180.38 g/mol. Its IUPAC name is triethyl(ethylsulfanyl)-λ4-sulfane.

Molecular Properties

Compound Nametriethyl(ethylsulfanyl)-λ4-sulfane
PubChem CID87650235
Molecular FormulaC8H20S2
Molecular Weight180.38 g/mol
Exact Mass180.10
IUPAC Nametriethyl(ethylsulfanyl)-λ4-sulfane
SMILESCCSS(CC)(CC)CC
InChIInChI=1S/C8H20S2/c1-5-9-10(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyIEGLSOQJHJTLQQ-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(ethylsulfanyl)-λ4-sulfane?
The IUPAC name of triethyl(ethylsulfanyl)-λ4-sulfane (CID 87650235) is triethyl(ethylsulfanyl)-λ4-sulfane.
What is the SMILES notation for triethyl(ethylsulfanyl)-λ4-sulfane?
The canonical SMILES for triethyl(ethylsulfanyl)-λ4-sulfane is CCSS(CC)(CC)CC.
What is the InChIKey of triethyl(ethylsulfanyl)-λ4-sulfane?
The InChIKey is IEGLSOQJHJTLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20S2/c1-5-9-10(6-2,7-3)8-4/h5-8H2,1-4H3.
What are the key properties of triethyl(ethylsulfanyl)-λ4-sulfane?
triethyl(ethylsulfanyl)-λ4-sulfane has a molecular weight of 180.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(ethylsulfanyl)-λ4-sulfane is sourced from PubChem (CID 87650235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).