triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane

C12H30S2 — CID 126481608

IUPACtriethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane
SMILESCCS(CC)(CC)S(CC)(CC)CC
InChIInChI=1S/C12H30S2/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyARQUAHKPSKKFJP-UHFFFAOYSA-N
MW238.51 g/mol
LogP4.63
Rot. Bonds7

About triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane

triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane (PubChem CID 126481608) has the molecular formula C12H30S2 and a molecular weight of 238.51 g/mol. Its IUPAC name is triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane.

Molecular Properties

Compound Nametriethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane
PubChem CID126481608
Molecular FormulaC12H30S2
Molecular Weight238.51 g/mol
Exact Mass238.18
IUPAC Nametriethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane
SMILESCCS(CC)(CC)S(CC)(CC)CC
InChIInChI=1S/C12H30S2/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyARQUAHKPSKKFJP-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(triethyl-λ4-sulfanyl)-λ4-sulfane?
The IUPAC name of triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane (CID 126481608) is triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane.
What is the SMILES notation for triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane?
The canonical SMILES for triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane is CCS(CC)(CC)S(CC)(CC)CC.
What is the InChIKey of triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane?
The InChIKey is ARQUAHKPSKKFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30S2/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3.
What are the key properties of triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane?
triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane has a molecular weight of 238.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(triethyl-λ4-sulfanyl)-λ4-sulfane is sourced from PubChem (CID 126481608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).