2-hydroxy-3-methylsulfanylpropanoic acid

C4H8O3S — CID 15647667

IUPAC2-hydroxy-3-methylsulfanylpropanoic acid
SMILESCSCC(O)C(=O)O
InChIInChI=1S/C4H8O3S/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKeyOEFRJRLPHLHRLE-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.21
Rot. Bonds3

About 2-hydroxy-3-methylsulfanylpropanoic acid

2-hydroxy-3-methylsulfanylpropanoic acid (PubChem CID 15647667) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 2-hydroxy-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methylsulfanylpropanoic acid
PubChem CID15647667
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name2-hydroxy-3-methylsulfanylpropanoic acid
SMILESCSCC(O)C(=O)O
InChIInChI=1S/C4H8O3S/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKeyOEFRJRLPHLHRLE-UHFFFAOYSA-N
XLogP-0.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylsulfanylpropanoic acid?
The IUPAC name of 2-hydroxy-3-methylsulfanylpropanoic acid (CID 15647667) is 2-hydroxy-3-methylsulfanylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-methylsulfanylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-methylsulfanylpropanoic acid is CSCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-methylsulfanylpropanoic acid?
The InChIKey is OEFRJRLPHLHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7).
What are the key properties of 2-hydroxy-3-methylsulfanylpropanoic acid?
2-hydroxy-3-methylsulfanylpropanoic acid has a molecular weight of 136.17 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 15647667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).