(ethylhexasulfanyl)ethane

C4H10S6 — CID 12940650

IUPAC(ethylhexasulfanyl)ethane
SMILESCCSSSSSSCC
InChIInChI=1S/C4H10S6/c1-3-5-7-9-10-8-6-4-2/h3-4H2,1-2H3
InChIKeyILEPGHCDHLOHFX-UHFFFAOYSA-N
MW250.53 g/mol
LogP5.00
Rot. Bonds7

About (ethylhexasulfanyl)ethane

(ethylhexasulfanyl)ethane (PubChem CID 12940650) has the molecular formula C4H10S6 and a molecular weight of 250.53 g/mol. Its IUPAC name is (ethylhexasulfanyl)ethane.

Molecular Properties

Compound Name(ethylhexasulfanyl)ethane
PubChem CID12940650
Molecular FormulaC4H10S6
Molecular Weight250.53 g/mol
Exact Mass249.91
IUPAC Name(ethylhexasulfanyl)ethane
SMILESCCSSSSSSCC
InChIInChI=1S/C4H10S6/c1-3-5-7-9-10-8-6-4-2/h3-4H2,1-2H3
InChIKeyILEPGHCDHLOHFX-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (ethylhexasulfanyl)ethane?
The IUPAC name of (ethylhexasulfanyl)ethane (CID 12940650) is (ethylhexasulfanyl)ethane.
What is the SMILES notation for (ethylhexasulfanyl)ethane?
The canonical SMILES for (ethylhexasulfanyl)ethane is CCSSSSSSCC.
What is the InChIKey of (ethylhexasulfanyl)ethane?
The InChIKey is ILEPGHCDHLOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S6/c1-3-5-7-9-10-8-6-4-2/h3-4H2,1-2H3.
What are the key properties of (ethylhexasulfanyl)ethane?
(ethylhexasulfanyl)ethane has a molecular weight of 250.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylhexasulfanyl)ethane is sourced from PubChem (CID 12940650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).