methyl 2-hydroxy-3-methylsulfanylpropanoate

C5H10O3S — CID 15720793

IUPACmethyl 2-hydroxy-3-methylsulfanylpropanoate
SMILESCOC(=O)C(O)CSC
InChIInChI=1S/C5H10O3S/c1-8-5(7)4(6)3-9-2/h4,6H,3H2,1-2H3
InChIKeyRWBNICGDLXPFNE-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.12
Rot. Bonds3

About methyl 2-hydroxy-3-methylsulfanylpropanoate

methyl 2-hydroxy-3-methylsulfanylpropanoate (PubChem CID 15720793) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is methyl 2-hydroxy-3-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-methylsulfanylpropanoate
PubChem CID15720793
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Namemethyl 2-hydroxy-3-methylsulfanylpropanoate
SMILESCOC(=O)C(O)CSC
InChIInChI=1S/C5H10O3S/c1-8-5(7)4(6)3-9-2/h4,6H,3H2,1-2H3
InChIKeyRWBNICGDLXPFNE-UHFFFAOYSA-N
XLogP-0.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-methylsulfanylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-methylsulfanylpropanoate (CID 15720793) is methyl 2-hydroxy-3-methylsulfanylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-methylsulfanylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-methylsulfanylpropanoate is COC(=O)C(O)CSC.
What is the InChIKey of methyl 2-hydroxy-3-methylsulfanylpropanoate?
The InChIKey is RWBNICGDLXPFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-8-5(7)4(6)3-9-2/h4,6H,3H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-methylsulfanylpropanoate?
methyl 2-hydroxy-3-methylsulfanylpropanoate has a molecular weight of 150.20 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-methylsulfanylpropanoate is sourced from PubChem (CID 15720793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).