methyl 2-methylsulfanylpropanoate

C5H10O2S — CID 548372

IUPACmethyl 2-methylsulfanylpropanoate
SMILESCOC(=O)C(C)SC
InChIInChI=1S/C5H10O2S/c1-4(8-3)5(6)7-2/h4H,1-3H3
InChIKeyQMPSBIWJVUCDKV-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.91
Rot. Bonds2

About methyl 2-methylsulfanylpropanoate

methyl 2-methylsulfanylpropanoate (PubChem CID 548372) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is methyl 2-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-methylsulfanylpropanoate
PubChem CID548372
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Namemethyl 2-methylsulfanylpropanoate
SMILESCOC(=O)C(C)SC
InChIInChI=1S/C5H10O2S/c1-4(8-3)5(6)7-2/h4H,1-3H3
InChIKeyQMPSBIWJVUCDKV-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfanylpropanoate?
The IUPAC name of methyl 2-methylsulfanylpropanoate (CID 548372) is methyl 2-methylsulfanylpropanoate.
What is the SMILES notation for methyl 2-methylsulfanylpropanoate?
The canonical SMILES for methyl 2-methylsulfanylpropanoate is COC(=O)C(C)SC.
What is the InChIKey of methyl 2-methylsulfanylpropanoate?
The InChIKey is QMPSBIWJVUCDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4(8-3)5(6)7-2/h4H,1-3H3.
What are the key properties of methyl 2-methylsulfanylpropanoate?
methyl 2-methylsulfanylpropanoate has a molecular weight of 134.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfanylpropanoate is sourced from PubChem (CID 548372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).