triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane

C14H32OS3 — CID 170071143

IUPACtriethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane
SMILESCCS(CC)(CC)CC(OC(C)C)SSC(C)C
InChIInChI=1S/C14H32OS3/c1-8-18(9-2,10-3)11-14(15-12(4)5)17-16-13(6)7/h12-14H,8-11H2,1-7H3
InChIKeyCVIBWUBIZFTRIP-UHFFFAOYSA-N
MW312.61 g/mol
LogP5.39
Rot. Bonds10

About triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane

triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane (PubChem CID 170071143) has the molecular formula C14H32OS3 and a molecular weight of 312.61 g/mol. Its IUPAC name is triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane.

Molecular Properties

Compound Nametriethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane
PubChem CID170071143
Molecular FormulaC14H32OS3
Molecular Weight312.61 g/mol
Exact Mass312.16
IUPAC Nametriethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane
SMILESCCS(CC)(CC)CC(OC(C)C)SSC(C)C
InChIInChI=1S/C14H32OS3/c1-8-18(9-2,10-3)11-14(15-12(4)5)17-16-13(6)7/h12-14H,8-11H2,1-7H3
InChIKeyCVIBWUBIZFTRIP-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;hexane;2-propan-2-yloxypropane
CID 87119579
3,6-di(propan-2-yloxy)octane
CID 175258426
ethanol;1-propan-2-yloxyethanol
CID 87638042
hexane;2-propan-2-yloxypropane;toluene
CID 174447414
[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene
CID 21423450
2-propan-2-yloxybutyl methanesulfonate
CID 160973482
1-(propan-2-yldisulfanyl)hexane
CID 536197
1,1,1-trifluoro-2-(propan-2-yldisulfanyl)butane
CID 155242902
1-ethoxy-3-propan-2-yloxybutane
CID 154176409
bis(propan-2-yloxymethylsulfonyloxy)alumanyl propan-2-yloxymethanesulfonate
CID 140999765
2-ethoxypropane;zinc
CID 174321747
O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine
CID 166831016

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane?
The IUPAC name of triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane (CID 170071143) is triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane.
What is the SMILES notation for triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane?
The canonical SMILES for triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane is CCS(CC)(CC)CC(OC(C)C)SSC(C)C.
What is the InChIKey of triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane?
The InChIKey is CVIBWUBIZFTRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32OS3/c1-8-18(9-2,10-3)11-14(15-12(4)5)17-16-13(6)7/h12-14H,8-11H2,1-7H3.
What are the key properties of triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane?
triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane has a molecular weight of 312.61 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane is sourced from PubChem (CID 170071143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).