(3R)-3-hydroxy-4-methylsulfanylbutan-2-one

C5H10O2S — CID 58757481

IUPAC(3R)-3-hydroxy-4-methylsulfanylbutan-2-one
SMILESCSC[C@H](O)C(C)=O
InChIInChI=1S/C5H10O2S/c1-4(6)5(7)3-8-2/h5,7H,3H2,1-2H3/t5-/m0/s1
InChIKeyMOXNEWFOZOXNLI-YFKPBYRVSA-N
MW134.20 g/mol
LogP0.30
Rot. Bonds3

About (3R)-3-hydroxy-4-methylsulfanylbutan-2-one

(3R)-3-hydroxy-4-methylsulfanylbutan-2-one (PubChem CID 58757481) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-methylsulfanylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-methylsulfanylbutan-2-one
PubChem CID58757481
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name(3R)-3-hydroxy-4-methylsulfanylbutan-2-one
SMILESCSC[C@H](O)C(C)=O
InChIInChI=1S/C5H10O2S/c1-4(6)5(7)3-8-2/h5,7H,3H2,1-2H3/t5-/m0/s1
InChIKeyMOXNEWFOZOXNLI-YFKPBYRVSA-N
XLogP0.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-methylsulfanylbutan-2-one?
The IUPAC name of (3R)-3-hydroxy-4-methylsulfanylbutan-2-one (CID 58757481) is (3R)-3-hydroxy-4-methylsulfanylbutan-2-one.
What is the SMILES notation for (3R)-3-hydroxy-4-methylsulfanylbutan-2-one?
The canonical SMILES for (3R)-3-hydroxy-4-methylsulfanylbutan-2-one is CSC[C@H](O)C(C)=O.
What is the InChIKey of (3R)-3-hydroxy-4-methylsulfanylbutan-2-one?
The InChIKey is MOXNEWFOZOXNLI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4(6)5(7)3-8-2/h5,7H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (3R)-3-hydroxy-4-methylsulfanylbutan-2-one?
(3R)-3-hydroxy-4-methylsulfanylbutan-2-one has a molecular weight of 134.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-methylsulfanylbutan-2-one is sourced from PubChem (CID 58757481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).