methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate

C8H8O3S2 — CID 54728677

IUPACmethyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate
SMILESCOC(=O)c1sc2c(c1O)CSC2
InChIInChI=1S/C8H8O3S2/c1-11-8(10)7-6(9)4-2-12-3-5(4)13-7/h9H,2-3H2,1H3
InChIKeyGZPMADSAACMFNA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.99
Rot. Bonds1

About methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate

methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate (PubChem CID 54728677) has the molecular formula C8H8O3S2 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate
PubChem CID54728677
Molecular FormulaC8H8O3S2
Molecular Weight216.28 g/mol
Exact Mass215.99
IUPAC Namemethyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate
SMILESCOC(=O)c1sc2c(c1O)CSC2
InChIInChI=1S/C8H8O3S2/c1-11-8(10)7-6(9)4-2-12-3-5(4)13-7/h9H,2-3H2,1H3
InChIKeyGZPMADSAACMFNA-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate (CID 54728677) is methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate is COC(=O)c1sc2c(c1O)CSC2.
What is the InChIKey of methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate?
The InChIKey is GZPMADSAACMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S2/c1-11-8(10)7-6(9)4-2-12-3-5(4)13-7/h9H,2-3H2,1H3.
What are the key properties of methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate?
methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate is sourced from PubChem (CID 54728677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).