1-(methyldisulfanyl)-1-methylsulfinylpropane

C5H12OS3 — CID 14704626

IUPAC1-(methyldisulfanyl)-1-methylsulfinylpropane
SMILESCCC(SSC)S(C)=O
InChIInChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3
InChIKeyBBBAHSPHKVIDRN-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.11
Rot. Bonds4

About 1-(methyldisulfanyl)-1-methylsulfinylpropane

1-(methyldisulfanyl)-1-methylsulfinylpropane (PubChem CID 14704626) has the molecular formula C5H12OS3 and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-(methyldisulfanyl)-1-methylsulfinylpropane.

Molecular Properties

Compound Name1-(methyldisulfanyl)-1-methylsulfinylpropane
PubChem CID14704626
Molecular FormulaC5H12OS3
Molecular Weight184.35 g/mol
Exact Mass184.01
IUPAC Name1-(methyldisulfanyl)-1-methylsulfinylpropane
SMILESCCC(SSC)S(C)=O
InChIInChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3
InChIKeyBBBAHSPHKVIDRN-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)-1-methylsulfinylpropane?
The IUPAC name of 1-(methyldisulfanyl)-1-methylsulfinylpropane (CID 14704626) is 1-(methyldisulfanyl)-1-methylsulfinylpropane.
What is the SMILES notation for 1-(methyldisulfanyl)-1-methylsulfinylpropane?
The canonical SMILES for 1-(methyldisulfanyl)-1-methylsulfinylpropane is CCC(SSC)S(C)=O.
What is the InChIKey of 1-(methyldisulfanyl)-1-methylsulfinylpropane?
The InChIKey is BBBAHSPHKVIDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3.
What are the key properties of 1-(methyldisulfanyl)-1-methylsulfinylpropane?
1-(methyldisulfanyl)-1-methylsulfinylpropane has a molecular weight of 184.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)-1-methylsulfinylpropane is sourced from PubChem (CID 14704626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).