1-(methyldisulfanyl)-1-methylsulfanylpropane

C5H12S3 — CID 521472

IUPAC1-(methyldisulfanyl)-1-methylsulfanylpropane
SMILESCCC(SC)SSC
InChIInChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3
InChIKeyOGKCJWOOFUPRSV-UHFFFAOYSA-N
MW168.35 g/mol
LogP3.10
Rot. Bonds4

About 1-(methyldisulfanyl)-1-methylsulfanylpropane

1-(methyldisulfanyl)-1-methylsulfanylpropane (PubChem CID 521472) has the molecular formula C5H12S3 and a molecular weight of 168.35 g/mol. Its IUPAC name is 1-(methyldisulfanyl)-1-methylsulfanylpropane.

Molecular Properties

Compound Name1-(methyldisulfanyl)-1-methylsulfanylpropane
PubChem CID521472
Molecular FormulaC5H12S3
Molecular Weight168.35 g/mol
Exact Mass168.01
IUPAC Name1-(methyldisulfanyl)-1-methylsulfanylpropane
SMILESCCC(SC)SSC
InChIInChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3
InChIKeyOGKCJWOOFUPRSV-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-(methyldisulfanyl)-1-methylsulfanylpropane?
The IUPAC name of 1-(methyldisulfanyl)-1-methylsulfanylpropane (CID 521472) is 1-(methyldisulfanyl)-1-methylsulfanylpropane.
What is the SMILES notation for 1-(methyldisulfanyl)-1-methylsulfanylpropane?
The canonical SMILES for 1-(methyldisulfanyl)-1-methylsulfanylpropane is CCC(SC)SSC.
What is the InChIKey of 1-(methyldisulfanyl)-1-methylsulfanylpropane?
The InChIKey is OGKCJWOOFUPRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3.
What are the key properties of 1-(methyldisulfanyl)-1-methylsulfanylpropane?
1-(methyldisulfanyl)-1-methylsulfanylpropane 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-(methyldisulfanyl)-1-methylsulfanylpropane is sourced from PubChem (CID 521472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).