methyl 2-methoxy-3-methylsulfanylpropanoate

C6H12O3S — CID 86705842

IUPACmethyl 2-methoxy-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)OC
InChIInChI=1S/C6H12O3S/c1-8-5(4-10-3)6(7)9-2/h5H,4H2,1-3H3
InChIKeyWARWVNWAOXSAHN-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.54
Rot. Bonds4

About methyl 2-methoxy-3-methylsulfanylpropanoate

methyl 2-methoxy-3-methylsulfanylpropanoate (PubChem CID 86705842) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is methyl 2-methoxy-3-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-methoxy-3-methylsulfanylpropanoate
PubChem CID86705842
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Namemethyl 2-methoxy-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)OC
InChIInChI=1S/C6H12O3S/c1-8-5(4-10-3)6(7)9-2/h5H,4H2,1-3H3
InChIKeyWARWVNWAOXSAHN-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

S-Methyl 2-(acetyloxy)propanethioate
CID 57509249
Methylthio 2-(propionyloxy) propionate
CID 20831779
2-Methoxy-4-(methylsulfanyl)butanoic acid
CID 71376312
2-Methoxy-3-(methylsulfanyl)propanoic acid
CID 86664688
4-Dimethylsulfonio-2-meth-oxybutyrate
CID 20847560
(s)-4-Dimethylsulfonio-2-methoxybutyrate
CID 23426754
(r)-3-Di-methylsulfonio-2-methoxypropanoate
CID 23427956
Methyl 5-methyl-1,3-oxathiolane-5-carboxylate
CID 132277240
Methyl 2-(1,3-dithiolan-2-yl)-2-methoxyacetate
CID 134936251
Ethyl 3-[bromo(dimethyl)-lambda4-sulfanyl]-2-oxopropanoate
CID 134994902
1,3-Bis(methylthio)-2-(carboxymethoxy)propane
CID 167993217
3,6-Dimethyl-1,4-oxathiane-2,5-dione
CID 171383555

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3-methylsulfanylpropanoate?
The IUPAC name of methyl 2-methoxy-3-methylsulfanylpropanoate (CID 86705842) is methyl 2-methoxy-3-methylsulfanylpropanoate.
What is the SMILES notation for methyl 2-methoxy-3-methylsulfanylpropanoate?
The canonical SMILES for methyl 2-methoxy-3-methylsulfanylpropanoate is COC(=O)C(CSC)OC.
What is the InChIKey of methyl 2-methoxy-3-methylsulfanylpropanoate?
The InChIKey is WARWVNWAOXSAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-8-5(4-10-3)6(7)9-2/h5H,4H2,1-3H3.
What are the key properties of methyl 2-methoxy-3-methylsulfanylpropanoate?
methyl 2-methoxy-3-methylsulfanylpropanoate has a molecular weight of 164.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3-methylsulfanylpropanoate is sourced from PubChem (CID 86705842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).