methyl 2-methylprop-2-ene-1-sulfinate

C5H10O2S — CID 21334371

IUPACmethyl 2-methylprop-2-ene-1-sulfinate
SMILESC=C(C)CS(=O)OC
InChIInChI=1S/C5H10O2S/c1-5(2)4-8(6)7-3/h1,4H2,2-3H3
InChIKeyBYQHAZSRQIDKRL-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.87
Rot. Bonds3

About methyl 2-methylprop-2-ene-1-sulfinate

methyl 2-methylprop-2-ene-1-sulfinate (PubChem CID 21334371) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is methyl 2-methylprop-2-ene-1-sulfinate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-ene-1-sulfinate
PubChem CID21334371
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Namemethyl 2-methylprop-2-ene-1-sulfinate
SMILESC=C(C)CS(=O)OC
InChIInChI=1S/C5H10O2S/c1-5(2)4-8(6)7-3/h1,4H2,2-3H3
InChIKeyBYQHAZSRQIDKRL-UHFFFAOYSA-N
XLogP0.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl 2-methylprop-2-ene-1-sulfinate?
The IUPAC name of methyl 2-methylprop-2-ene-1-sulfinate (CID 21334371) is methyl 2-methylprop-2-ene-1-sulfinate.
What is the SMILES notation for methyl 2-methylprop-2-ene-1-sulfinate?
The canonical SMILES for methyl 2-methylprop-2-ene-1-sulfinate is C=C(C)CS(=O)OC.
What is the InChIKey of methyl 2-methylprop-2-ene-1-sulfinate?
The InChIKey is BYQHAZSRQIDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5(2)4-8(6)7-3/h1,4H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-ene-1-sulfinate?
methyl 2-methylprop-2-ene-1-sulfinate has a molecular weight of 134.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-ene-1-sulfinate is sourced from PubChem (CID 21334371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).