2-methylsulfanylethyl (2R)-2-hydroxypropanoate

C6H12O3S — CID 130750231

IUPAC2-methylsulfanylethyl (2R)-2-hydroxypropanoate
SMILESCSCCOC(=O)[C@@H](C)O
InChIInChI=1S/C6H12O3S/c1-5(7)6(8)9-3-4-10-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyGTZPHMZPOSSKEI-RXMQYKEDSA-N
MW164.23 g/mol
LogP0.27
Rot. Bonds4

About 2-methylsulfanylethyl (2R)-2-hydroxypropanoate

2-methylsulfanylethyl (2R)-2-hydroxypropanoate (PubChem CID 130750231) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-methylsulfanylethyl (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Name2-methylsulfanylethyl (2R)-2-hydroxypropanoate
PubChem CID130750231
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-methylsulfanylethyl (2R)-2-hydroxypropanoate
SMILESCSCCOC(=O)[C@@H](C)O
InChIInChI=1S/C6H12O3S/c1-5(7)6(8)9-3-4-10-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyGTZPHMZPOSSKEI-RXMQYKEDSA-N
XLogP0.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
2-methylsulfanylethyl 2-hydroxyacetate
CID 127010328
2-(2-hydroxypropanoyloxy)-4-methylsulfanylbutanoic acid
CID 87753702
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
2-methylsulfanylethyl N,N-dimethylcarbamate
CID 130699366
3-oxopropyl 2-hydroxypropanoate
CID 154189080
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
2-(methyldisulfanyl)ethyl 2-methylpropanoate
CID 160539499
trichloromethyl (2S)-2-hydroxy-4-methylsulfanylbutanoate
CID 174781706
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
4-ethoxybutyl 2-hydroxypropanoate
CID 151280591
octadecyl 2-hydroxypropanoate;zinc
CID 174699116

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethyl (2R)-2-hydroxypropanoate?
The IUPAC name of 2-methylsulfanylethyl (2R)-2-hydroxypropanoate (CID 130750231) is 2-methylsulfanylethyl (2R)-2-hydroxypropanoate.
What is the SMILES notation for 2-methylsulfanylethyl (2R)-2-hydroxypropanoate?
The canonical SMILES for 2-methylsulfanylethyl (2R)-2-hydroxypropanoate is CSCCOC(=O)[C@@H](C)O.
What is the InChIKey of 2-methylsulfanylethyl (2R)-2-hydroxypropanoate?
The InChIKey is GTZPHMZPOSSKEI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O3S/c1-5(7)6(8)9-3-4-10-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of 2-methylsulfanylethyl (2R)-2-hydroxypropanoate?
2-methylsulfanylethyl (2R)-2-hydroxypropanoate has a molecular weight of 164.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethyl (2R)-2-hydroxypropanoate is sourced from PubChem (CID 130750231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).