methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate

C6H8O3S — CID 158414718

IUPACmethyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate
SMILESCOC(=O)C1=CSC(O)C1
InChIInChI=1S/C6H8O3S/c1-9-6(8)4-2-5(7)10-3-4/h3,5,7H,2H2,1H3
InChIKeyGZTAHYQROAUUKP-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.50
Rot. Bonds1

About methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate

methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate (PubChem CID 158414718) has the molecular formula C6H8O3S and a molecular weight of 160.19 g/mol. Its IUPAC name is methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate
PubChem CID158414718
Molecular FormulaC6H8O3S
Molecular Weight160.19 g/mol
Exact Mass160.02
IUPAC Namemethyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate
SMILESCOC(=O)C1=CSC(O)C1
InChIInChI=1S/C6H8O3S/c1-9-6(8)4-2-5(7)10-3-4/h3,5,7H,2H2,1H3
InChIKeyGZTAHYQROAUUKP-UHFFFAOYSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate?
The IUPAC name of methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate (CID 158414718) is methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate?
The canonical SMILES for methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate is COC(=O)C1=CSC(O)C1.
What is the InChIKey of methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate?
The InChIKey is GZTAHYQROAUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3S/c1-9-6(8)4-2-5(7)10-3-4/h3,5,7H,2H2,1H3.
What are the key properties of methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate?
methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate has a molecular weight of 160.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate is sourced from PubChem (CID 158414718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).