3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid

C11H10O4S2 — CID 133060983

IUPAC3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid
SMILESCC(C)OC(=O)c1csc2sc(C(=O)O)cc12
InChIInChI=1S/C11H10O4S2/c1-5(2)15-10(14)7-4-16-11-6(7)3-8(17-11)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyFKANFZNMFDFYBF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.23
Rot. Bonds3

About 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid

3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid (PubChem CID 133060983) has the molecular formula C11H10O4S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid
PubChem CID133060983
Molecular FormulaC11H10O4S2
Molecular Weight270.33 g/mol
Exact Mass270.00
IUPAC Name3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid
SMILESCC(C)OC(=O)c1csc2sc(C(=O)O)cc12
InChIInChI=1S/C11H10O4S2/c1-5(2)15-10(14)7-4-16-11-6(7)3-8(17-11)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyFKANFZNMFDFYBF-UHFFFAOYSA-N
XLogP3.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid?
The IUPAC name of 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid (CID 133060983) is 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid?
The canonical SMILES for 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid is CC(C)OC(=O)c1csc2sc(C(=O)O)cc12.
What is the InChIKey of 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid?
The InChIKey is FKANFZNMFDFYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S2/c1-5(2)15-10(14)7-4-16-11-6(7)3-8(17-11)9(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid?
3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 133060983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).