3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid

C10H7BrO2S2 — CID 70690212

IUPAC3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESO=C(O)c1sc2c(Br)csc2c1C1CC1
InChIInChI=1S/C10H7BrO2S2/c11-5-3-14-8-6(4-1-2-4)9(10(12)13)15-7(5)8/h3-4H,1-2H2,(H,12,13)
InChIKeyJIEVLWMJTLVNMR-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.30
Rot. Bonds2

About 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid

3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid (PubChem CID 70690212) has the molecular formula C10H7BrO2S2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid
PubChem CID70690212
Molecular FormulaC10H7BrO2S2
Molecular Weight303.20 g/mol
Exact Mass301.91
IUPAC Name3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESO=C(O)c1sc2c(Br)csc2c1C1CC1
InChIInChI=1S/C10H7BrO2S2/c11-5-3-14-8-6(4-1-2-4)9(10(12)13)15-7(5)8/h3-4H,1-2H2,(H,12,13)
InChIKeyJIEVLWMJTLVNMR-UHFFFAOYSA-N
XLogP4.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid?
The IUPAC name of 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid (CID 70690212) is 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid?
The canonical SMILES for 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid is O=C(O)c1sc2c(Br)csc2c1C1CC1.
What is the InChIKey of 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid?
The InChIKey is JIEVLWMJTLVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S2/c11-5-3-14-8-6(4-1-2-4)9(10(12)13)15-7(5)8/h3-4H,1-2H2,(H,12,13).
What are the key properties of 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid?
3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid has a molecular weight of 303.20 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 70690212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).