methyl 2-methylsulfinylprop-2-enoate

C5H8O3S — CID 102507215

IUPACmethyl 2-methylsulfinylprop-2-enoate
SMILESC=C(C(=O)OC)S(C)=O
InChIInChI=1S/C5H8O3S/c1-4(9(3)7)5(6)8-2/h1H2,2-3H3
InChIKeyZOPOCUBSPYZMOA-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.05
Rot. Bonds2

About methyl 2-methylsulfinylprop-2-enoate

methyl 2-methylsulfinylprop-2-enoate (PubChem CID 102507215) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is methyl 2-methylsulfinylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methylsulfinylprop-2-enoate
PubChem CID102507215
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Namemethyl 2-methylsulfinylprop-2-enoate
SMILESC=C(C(=O)OC)S(C)=O
InChIInChI=1S/C5H8O3S/c1-4(9(3)7)5(6)8-2/h1H2,2-3H3
InChIKeyZOPOCUBSPYZMOA-UHFFFAOYSA-N
XLogP0.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
dimethyl oxalate
CID 11120
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
3-methoxy-3-oxo(313C)prop-1-en-2-olate
CID 102061344
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
dimethyl oxalate;hydrochloride
CID 172754902
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfinylprop-2-enoate?
The IUPAC name of methyl 2-methylsulfinylprop-2-enoate (CID 102507215) is methyl 2-methylsulfinylprop-2-enoate.
What is the SMILES notation for methyl 2-methylsulfinylprop-2-enoate?
The canonical SMILES for methyl 2-methylsulfinylprop-2-enoate is C=C(C(=O)OC)S(C)=O.
What is the InChIKey of methyl 2-methylsulfinylprop-2-enoate?
The InChIKey is ZOPOCUBSPYZMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-4(9(3)7)5(6)8-2/h1H2,2-3H3.
What are the key properties of methyl 2-methylsulfinylprop-2-enoate?
methyl 2-methylsulfinylprop-2-enoate has a molecular weight of 148.18 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfinylprop-2-enoate is sourced from PubChem (CID 102507215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).