5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid

C8H6O3S2 — CID 133055634

IUPAC5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc2sc(CO)cc12
InChIInChI=1S/C8H6O3S2/c9-2-4-1-5-6(7(10)11)3-12-8(5)13-4/h1,3,9H,2H2,(H,10,11)
InChIKeyYAYDOZOEJDAEPK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.15
Rot. Bonds2

About 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid

5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid (PubChem CID 133055634) has the molecular formula C8H6O3S2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid
PubChem CID133055634
Molecular FormulaC8H6O3S2
Molecular Weight214.27 g/mol
Exact Mass213.98
IUPAC Name5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc2sc(CO)cc12
InChIInChI=1S/C8H6O3S2/c9-2-4-1-5-6(7(10)11)3-12-8(5)13-4/h1,3,9H,2H2,(H,10,11)
InChIKeyYAYDOZOEJDAEPK-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid?
The IUPAC name of 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid (CID 133055634) is 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid?
The canonical SMILES for 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid is O=C(O)c1csc2sc(CO)cc12.
What is the InChIKey of 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid?
The InChIKey is YAYDOZOEJDAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3S2/c9-2-4-1-5-6(7(10)11)3-12-8(5)13-4/h1,3,9H,2H2,(H,10,11).
What are the key properties of 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid?
5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid has a molecular weight of 214.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)thieno[2,3-b]thiophene-3-carboxylic acid is sourced from PubChem (CID 133055634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).