2-methyl-3-methylsulfinylprop-1-ene

C5H10OS — CID 89314117

IUPAC2-methyl-3-methylsulfinylprop-1-ene
SMILESC=C(C)CS(C)=O
InChIInChI=1S/C5H10OS/c1-5(2)4-7(3)6/h1,4H2,2-3H3
InChIKeyNYAHWFJRPAVJJP-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.94
Rot. Bonds2

About 2-methyl-3-methylsulfinylprop-1-ene

2-methyl-3-methylsulfinylprop-1-ene (PubChem CID 89314117) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methyl-3-methylsulfinylprop-1-ene.

Molecular Properties

Compound Name2-methyl-3-methylsulfinylprop-1-ene
PubChem CID89314117
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methyl-3-methylsulfinylprop-1-ene
SMILESC=C(C)CS(C)=O
InChIInChI=1S/C5H10OS/c1-5(2)4-7(3)6/h1,4H2,2-3H3
InChIKeyNYAHWFJRPAVJJP-UHFFFAOYSA-N
XLogP0.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfinylprop-1-ene?
The IUPAC name of 2-methyl-3-methylsulfinylprop-1-ene (CID 89314117) is 2-methyl-3-methylsulfinylprop-1-ene.
What is the SMILES notation for 2-methyl-3-methylsulfinylprop-1-ene?
The canonical SMILES for 2-methyl-3-methylsulfinylprop-1-ene is C=C(C)CS(C)=O.
What is the InChIKey of 2-methyl-3-methylsulfinylprop-1-ene?
The InChIKey is NYAHWFJRPAVJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5(2)4-7(3)6/h1,4H2,2-3H3.
What are the key properties of 2-methyl-3-methylsulfinylprop-1-ene?
2-methyl-3-methylsulfinylprop-1-ene has a molecular weight of 118.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfinylprop-1-ene is sourced from PubChem (CID 89314117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).