1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane

C7H14OS3 — CID 14704628

IUPAC1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane
SMILESC/C=C/SSC(CC)S(C)=O
InChIInChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyMKOPLMYOMZFPLE-GQCTYLIASA-N
MW210.39 g/mol
LogP3.02
Rot. Bonds5

About 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane

1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane (PubChem CID 14704628) has the molecular formula C7H14OS3 and a molecular weight of 210.39 g/mol. Its IUPAC name is 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane.

Molecular Properties

Compound Name1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane
PubChem CID14704628
Molecular FormulaC7H14OS3
Molecular Weight210.39 g/mol
Exact Mass210.02
IUPAC Name1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane
SMILESC/C=C/SSC(CC)S(C)=O
InChIInChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyMKOPLMYOMZFPLE-GQCTYLIASA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.02
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-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane?
The IUPAC name of 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane (CID 14704628) is 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane.
What is the SMILES notation for 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane?
The canonical SMILES for 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane is C/C=C/SSC(CC)S(C)=O.
What is the InChIKey of 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane?
The InChIKey is MKOPLMYOMZFPLE-GQCTYLIASA-N. The full InChI is InChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,6-7H,5H2,1-3H3/b6-4+.
What are the key properties of 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane?
1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane has a molecular weight of 210.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-1-[[(E)-prop-1-enyl]disulfanyl]propane is sourced from PubChem (CID 14704628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).