2-methylsulfanylethyl 2-hydroxyacetate

C5H10O3S — CID 127010328

IUPAC2-methylsulfanylethyl 2-hydroxyacetate
SMILESCSCCOC(=O)CO
InChIInChI=1S/C5H10O3S/c1-9-3-2-8-5(7)4-6/h6H,2-4H2,1H3
InChIKeyWTWAOXPSHDMMSA-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.12
Rot. Bonds4

About 2-methylsulfanylethyl 2-hydroxyacetate

2-methylsulfanylethyl 2-hydroxyacetate (PubChem CID 127010328) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-methylsulfanylethyl 2-hydroxyacetate.

Molecular Properties

Compound Name2-methylsulfanylethyl 2-hydroxyacetate
PubChem CID127010328
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-methylsulfanylethyl 2-hydroxyacetate
SMILESCSCCOC(=O)CO
InChIInChI=1S/C5H10O3S/c1-9-3-2-8-5(7)4-6/h6H,2-4H2,1H3
InChIKeyWTWAOXPSHDMMSA-UHFFFAOYSA-N
XLogP-0.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylsulfanylethoxy)-4-oxobutyl]azanium
CID 163379898
2-methylsulfanylethyl N,N-dimethylcarbamate
CID 130699366
2-methylsulfanylethyl (2R)-2-hydroxypropanoate
CID 130750231
ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane
CID 163645846
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
CID 172537073
2-methylsulfanylethyl 2-(butanoylamino)acetate
CID 78862309
2-chloroethyl 2-hydroxyacetate
CID 10034696
2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate
CID 20673875
2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine
CID 174615964
hexacosyl 2-hydroxyacetate
CID 156789960
magnesium;butyl 2-hydroxyacetate;hydride
CID 173215691
O-(2-methylsulfanylethyl) carbamothioate
CID 175193308

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethyl 2-hydroxyacetate?
The IUPAC name of 2-methylsulfanylethyl 2-hydroxyacetate (CID 127010328) is 2-methylsulfanylethyl 2-hydroxyacetate.
What is the SMILES notation for 2-methylsulfanylethyl 2-hydroxyacetate?
The canonical SMILES for 2-methylsulfanylethyl 2-hydroxyacetate is CSCCOC(=O)CO.
What is the InChIKey of 2-methylsulfanylethyl 2-hydroxyacetate?
The InChIKey is WTWAOXPSHDMMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-9-3-2-8-5(7)4-6/h6H,2-4H2,1H3.
What are the key properties of 2-methylsulfanylethyl 2-hydroxyacetate?
2-methylsulfanylethyl 2-hydroxyacetate has a molecular weight of 150.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethyl 2-hydroxyacetate is sourced from PubChem (CID 127010328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).