1-(methyldisulfanyl)propane

C4H10S2 — CID 16592

IUPAC1-(methyldisulfanyl)propane
SMILESCCCSSC
InChIInChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
InChIKeyPUCHCUYBORIUSM-UHFFFAOYSA-N
MW122.26 g/mol
LogP2.41
Rot. Bonds3

About 1-(methyldisulfanyl)propane

1-(methyldisulfanyl)propane (PubChem CID 16592) has the molecular formula C4H10S2 and a molecular weight of 122.26 g/mol. Its IUPAC name is 1-(methyldisulfanyl)propane.

Molecular Properties

Compound Name1-(methyldisulfanyl)propane
PubChem CID16592
Molecular FormulaC4H10S2
Molecular Weight122.26 g/mol
Exact Mass122.02
IUPAC Name1-(methyldisulfanyl)propane
SMILESCCCSSC
InChIInChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
InChIKeyPUCHCUYBORIUSM-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
1-(methyldisulfanyl)-2-[2-(methyldisulfanyl)ethylsulfanyl]ethane
CID 165390493
1-(propylheptasulfanyl)propane
CID 14123249
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
ethylsilane;1-(propyltetrasulfanyl)propane
CID 175318945
2-(propyldisulfanyl)ethanol
CID 11977395
1-(methyldisulfanyl)pentan-3-one
CID 91237691
4-(methyldisulfanyl)butan-1-amine
CID 118258387
ethane;methanamine;1-methylsulfanylpropane
CID 143338871
hexane;tris((methyldisulfanyl)methane)
CID 162088093
(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
CID 87339090
(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
CID 159797170

Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)propane?
The IUPAC name of 1-(methyldisulfanyl)propane (CID 16592) is 1-(methyldisulfanyl)propane.
What is the SMILES notation for 1-(methyldisulfanyl)propane?
The canonical SMILES for 1-(methyldisulfanyl)propane is CCCSSC.
What is the InChIKey of 1-(methyldisulfanyl)propane?
The InChIKey is PUCHCUYBORIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3.
What are the key properties of 1-(methyldisulfanyl)propane?
1-(methyldisulfanyl)propane has a molecular weight of 122.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)propane is sourced from PubChem (CID 16592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).