2-hydroxyacetate;thiophene

C6H7O3S- — CID 22006032

IUPAC2-hydroxyacetate;thiophene
SMILESO=C([O-])CO.c1ccsc1
InChIInChI=1S/C4H4S.C2H4O3/c1-2-4-5-3-1;3-1-2(4)5/h1-4H;3H,1H2,(H,4,5)/p-1
InChIKeyJOSFHMHLUDSGDT-UHFFFAOYSA-M
MW159.19 g/mol
LogP-0.52
Rot. Bonds1

About 2-hydroxyacetate;thiophene

2-hydroxyacetate;thiophene (PubChem CID 22006032) has the molecular formula C6H7O3S- and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-hydroxyacetate;thiophene.

Molecular Properties

Compound Name2-hydroxyacetate;thiophene
PubChem CID22006032
Molecular FormulaC6H7O3S-
Molecular Weight159.19 g/mol
Exact Mass159.01
IUPAC Name2-hydroxyacetate;thiophene
SMILESO=C([O-])CO.c1ccsc1
InChIInChI=1S/C4H4S.C2H4O3/c1-2-4-5-3-1;3-1-2(4)5/h1-4H;3H,1H2,(H,4,5)/p-1
InChIKeyJOSFHMHLUDSGDT-UHFFFAOYSA-M
XLogP-0.52
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiophene carbonate
CID 21423732
1-hydroxypropan-2-one;thiophene
CID 67203307
2-hydroxyacetate
CID 5460308
2-hydroxy-2-oxoacetate;thiophene
CID 19417617
zinc bis(2-hydroxyacetate)
CID 15245444
dipotassium bis(2-hydroxyacetate)
CID 140653272
dysprosium(3+);tris(2-hydroxyacetate)
CID 158146925
tris(2-hydroxyacetate);iridium(3+)
CID 158441249
2-hydroxyacetate;iron(2+)
CID 18504415
tris(2-hydroxyacetate);yttrium(3+)
CID 161004200
magnesium;2-hydroxyacetate;chloride
CID 18799087
bis(2-hydroxyacetate);titanium(2+);dihydrate
CID 87109792

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;thiophene?
The IUPAC name of 2-hydroxyacetate;thiophene (CID 22006032) is 2-hydroxyacetate;thiophene.
What is the SMILES notation for 2-hydroxyacetate;thiophene?
The canonical SMILES for 2-hydroxyacetate;thiophene is O=C([O-])CO.c1ccsc1.
What is the InChIKey of 2-hydroxyacetate;thiophene?
The InChIKey is JOSFHMHLUDSGDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4S.C2H4O3/c1-2-4-5-3-1;3-1-2(4)5/h1-4H;3H,1H2,(H,4,5)/p-1.
What are the key properties of 2-hydroxyacetate;thiophene?
2-hydroxyacetate;thiophene has a molecular weight of 159.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetate;thiophene is sourced from PubChem (CID 22006032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).