[(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate

C10H10O4S — CID 2372192

IUPAC[(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)O[C@H]2CCOC2=O)s1
InChIInChI=1S/C10H10O4S/c1-6-2-3-8(15-6)10(12)14-7-4-5-13-9(7)11/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyXLBPXSRCJNRDPS-ZETCQYMHSA-N
MW226.25 g/mol
LogP1.53
Rot. Bonds2

About [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate

[(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate (PubChem CID 2372192) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate
PubChem CID2372192
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name[(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)O[C@H]2CCOC2=O)s1
InChIInChI=1S/C10H10O4S/c1-6-2-3-8(15-6)10(12)14-7-4-5-13-9(7)11/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyXLBPXSRCJNRDPS-ZETCQYMHSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate (CID 2372192) is [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)O[C@H]2CCOC2=O)s1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate?
The InChIKey is XLBPXSRCJNRDPS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O4S/c1-6-2-3-8(15-6)10(12)14-7-4-5-13-9(7)11/h2-3,7H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate?
[(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate has a molecular weight of 226.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2372192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).