(ethyldisulfanyl)methylsulfanylethane

C5H12S3 — CID 101410602

IUPAC(ethyldisulfanyl)methylsulfanylethane
SMILESCCSCSSCC
InChIInChI=1S/C5H12S3/c1-3-6-5-8-7-4-2/h3-5H2,1-2H3
InChIKeyYGYNDKHXDUVYFE-UHFFFAOYSA-N
MW168.35 g/mol
LogP3.10
Rot. Bonds5

About (ethyldisulfanyl)methylsulfanylethane

(ethyldisulfanyl)methylsulfanylethane (PubChem CID 101410602) has the molecular formula C5H12S3 and a molecular weight of 168.35 g/mol. Its IUPAC name is (ethyldisulfanyl)methylsulfanylethane.

Molecular Properties

Compound Name(ethyldisulfanyl)methylsulfanylethane
PubChem CID101410602
Molecular FormulaC5H12S3
Molecular Weight168.35 g/mol
Exact Mass168.01
IUPAC Name(ethyldisulfanyl)methylsulfanylethane
SMILESCCSCSSCC
InChIInChI=1S/C5H12S3/c1-3-6-5-8-7-4-2/h3-5H2,1-2H3
InChIKeyYGYNDKHXDUVYFE-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (ethyldisulfanyl)methylsulfanylethane?
The IUPAC name of (ethyldisulfanyl)methylsulfanylethane (CID 101410602) is (ethyldisulfanyl)methylsulfanylethane.
What is the SMILES notation for (ethyldisulfanyl)methylsulfanylethane?
The canonical SMILES for (ethyldisulfanyl)methylsulfanylethane is CCSCSSCC.
What is the InChIKey of (ethyldisulfanyl)methylsulfanylethane?
The InChIKey is YGYNDKHXDUVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S3/c1-3-6-5-8-7-4-2/h3-5H2,1-2H3.
What are the key properties of (ethyldisulfanyl)methylsulfanylethane?
(ethyldisulfanyl)methylsulfanylethane has a molecular weight of 168.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyldisulfanyl)methylsulfanylethane is sourced from PubChem (CID 101410602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).