2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane

C8H14OS2 — CID 14939461

IUPAC2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane
SMILESC=C(C)CSC(=S=O)C(C)C
InChIInChI=1S/C8H14OS2/c1-6(2)5-10-8(11-9)7(3)4/h7H,1,5H2,2-4H3
InChIKeyFWBLWVBLXVEERR-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.29
Rot. Bonds3

About 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane

2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane (PubChem CID 14939461) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane.

Molecular Properties

Compound Name2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane
PubChem CID14939461
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane
SMILESC=C(C)CSC(=S=O)C(C)C
InChIInChI=1S/C8H14OS2/c1-6(2)5-10-8(11-9)7(3)4/h7H,1,5H2,2-4H3
InChIKeyFWBLWVBLXVEERR-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane?
The IUPAC name of 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane (CID 14939461) is 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane.
What is the SMILES notation for 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane?
The canonical SMILES for 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane is C=C(C)CSC(=S=O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane?
The InChIKey is FWBLWVBLXVEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-6(2)5-10-8(11-9)7(3)4/h7H,1,5H2,2-4H3.
What are the key properties of 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane?
2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane has a molecular weight of 190.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane is sourced from PubChem (CID 14939461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).