2-(2-methylsulfanylacetyl)oxyacetate

C5H7O4S- — CID 168744736

IUPAC2-(2-methylsulfanylacetyl)oxyacetate
SMILESCSCC(=O)OCC(=O)[O-]
InChIInChI=1S/C5H8O4S/c1-10-3-5(8)9-2-4(6)7/h2-3H2,1H3,(H,6,7)/p-1
InChIKeyZVQFKVUNXHINTA-UHFFFAOYSA-M
MW163.17 g/mol
LogP-1.36
Rot. Bonds4

About 2-(2-methylsulfanylacetyl)oxyacetate

2-(2-methylsulfanylacetyl)oxyacetate (PubChem CID 168744736) has the molecular formula C5H7O4S- and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(2-methylsulfanylacetyl)oxyacetate.

Molecular Properties

Compound Name2-(2-methylsulfanylacetyl)oxyacetate
PubChem CID168744736
Molecular FormulaC5H7O4S-
Molecular Weight163.17 g/mol
Exact Mass163.01
IUPAC Name2-(2-methylsulfanylacetyl)oxyacetate
SMILESCSCC(=O)OCC(=O)[O-]
InChIInChI=1S/C5H8O4S/c1-10-3-5(8)9-2-4(6)7/h2-3H2,1H3,(H,6,7)/p-1
InChIKeyZVQFKVUNXHINTA-UHFFFAOYSA-M
XLogP-1.36
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylsulfanylacetyl)oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate
CID 20673875
acetyloxymethyl 2-methylsulfanylacetate;methane
CID 157487366
cyanomethyl 2-methylsulfanylacetate
CID 13155092
bis(butan-1-ol);bis(2-butanoyloxyacetate);titanium(2+)
CID 159819746
barium(2+);bis(2-methoxyacetate)
CID 88657250
potassium 2-aminooxyacetate
CID 167313621
2-(2,2,2-trifluoroacetyl)oxyacetate
CID 140610089
magnesium 2-(carboxylatomethoxy)acetate
CID 158181125
2-aminoacetate;iron(3+);diacetate
CID 174987571
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
2-methanidyloxyacetate;methanolate
CID 90717089
2-[(2-methylsulfanylacetyl)amino]oxyacetamide
CID 112550699

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylacetyl)oxyacetate?
The IUPAC name of 2-(2-methylsulfanylacetyl)oxyacetate (CID 168744736) is 2-(2-methylsulfanylacetyl)oxyacetate.
What is the SMILES notation for 2-(2-methylsulfanylacetyl)oxyacetate?
The canonical SMILES for 2-(2-methylsulfanylacetyl)oxyacetate is CSCC(=O)OCC(=O)[O-].
What is the InChIKey of 2-(2-methylsulfanylacetyl)oxyacetate?
The InChIKey is ZVQFKVUNXHINTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O4S/c1-10-3-5(8)9-2-4(6)7/h2-3H2,1H3,(H,6,7)/p-1.
What are the key properties of 2-(2-methylsulfanylacetyl)oxyacetate?
2-(2-methylsulfanylacetyl)oxyacetate has a molecular weight of 163.17 g/mol, XLogP of -1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylacetyl)oxyacetate is sourced from PubChem (CID 168744736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).