1-(ethyldisulfanyl)-1-methylsulfanylethane

C5H12S3 — CID 88656189

IUPAC1-(ethyldisulfanyl)-1-methylsulfanylethane
SMILESCCSSC(C)SC
InChIInChI=1S/C5H12S3/c1-4-7-8-5(2)6-3/h5H,4H2,1-3H3
InChIKeyWRPNBPGYWFLJHH-UHFFFAOYSA-N
MW168.35 g/mol
LogP3.10
Rot. Bonds4

About 1-(ethyldisulfanyl)-1-methylsulfanylethane

1-(ethyldisulfanyl)-1-methylsulfanylethane (PubChem CID 88656189) has the molecular formula C5H12S3 and a molecular weight of 168.35 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1-methylsulfanylethane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1-methylsulfanylethane
PubChem CID88656189
Molecular FormulaC5H12S3
Molecular Weight168.35 g/mol
Exact Mass168.01
IUPAC Name1-(ethyldisulfanyl)-1-methylsulfanylethane
SMILESCCSSC(C)SC
InChIInChI=1S/C5H12S3/c1-4-7-8-5(2)6-3/h5H,4H2,1-3H3
InChIKeyWRPNBPGYWFLJHH-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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': '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 1-(ethyldisulfanyl)-1-methylsulfanylethane?
The IUPAC name of 1-(ethyldisulfanyl)-1-methylsulfanylethane (CID 88656189) is 1-(ethyldisulfanyl)-1-methylsulfanylethane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1-methylsulfanylethane?
The canonical SMILES for 1-(ethyldisulfanyl)-1-methylsulfanylethane is CCSSC(C)SC.
What is the InChIKey of 1-(ethyldisulfanyl)-1-methylsulfanylethane?
The InChIKey is WRPNBPGYWFLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S3/c1-4-7-8-5(2)6-3/h5H,4H2,1-3H3.
What are the key properties of 1-(ethyldisulfanyl)-1-methylsulfanylethane?
1-(ethyldisulfanyl)-1-methylsulfanylethane has a molecular weight of 168.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1-methylsulfanylethane is sourced from PubChem (CID 88656189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).