1,1-dichloro-1-(ethyldisulfanyl)ethane

C4H8Cl2S2 — CID 88757347

IUPAC1,1-dichloro-1-(ethyldisulfanyl)ethane
SMILESCCSSC(C)(Cl)Cl
InChIInChI=1S/C4H8Cl2S2/c1-3-7-8-4(2,5)6/h3H2,1-2H3
InChIKeyXQBLIHZSTVOBPK-UHFFFAOYSA-N
MW191.15 g/mol
LogP3.54
Rot. Bonds3

About 1,1-dichloro-1-(ethyldisulfanyl)ethane

1,1-dichloro-1-(ethyldisulfanyl)ethane (PubChem CID 88757347) has the molecular formula C4H8Cl2S2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 1,1-dichloro-1-(ethyldisulfanyl)ethane.

Molecular Properties

Compound Name1,1-dichloro-1-(ethyldisulfanyl)ethane
PubChem CID88757347
Molecular FormulaC4H8Cl2S2
Molecular Weight191.15 g/mol
Exact Mass189.94
IUPAC Name1,1-dichloro-1-(ethyldisulfanyl)ethane
SMILESCCSSC(C)(Cl)Cl
InChIInChI=1S/C4H8Cl2S2/c1-3-7-8-4(2,5)6/h3H2,1-2H3
InChIKeyXQBLIHZSTVOBPK-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-(ethyldisulfanyl)ethane?
The IUPAC name of 1,1-dichloro-1-(ethyldisulfanyl)ethane (CID 88757347) is 1,1-dichloro-1-(ethyldisulfanyl)ethane.
What is the SMILES notation for 1,1-dichloro-1-(ethyldisulfanyl)ethane?
The canonical SMILES for 1,1-dichloro-1-(ethyldisulfanyl)ethane is CCSSC(C)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1-(ethyldisulfanyl)ethane?
The InChIKey is XQBLIHZSTVOBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2S2/c1-3-7-8-4(2,5)6/h3H2,1-2H3.
What are the key properties of 1,1-dichloro-1-(ethyldisulfanyl)ethane?
1,1-dichloro-1-(ethyldisulfanyl)ethane has a molecular weight of 191.15 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-(ethyldisulfanyl)ethane is sourced from PubChem (CID 88757347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).