1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid

C11H10O2S2 — CID 123465513

IUPAC1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc2sc(C3(C(=O)O)CC3)cc2s1
InChIInChI=1S/C11H10O2S2/c1-6-4-7-8(14-6)5-9(15-7)11(2-3-11)10(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyGGEDBPKJJINFHG-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid

1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 123465513) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
PubChem CID123465513
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc2sc(C3(C(=O)O)CC3)cc2s1
InChIInChI=1S/C11H10O2S2/c1-6-4-7-8(14-6)5-9(15-7)11(2-3-11)10(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyGGEDBPKJJINFHG-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 84806704
(3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
CID 123706785
2-morpholin-4-ylethyl 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
CID 123418284
1-[2-[2-(5-amino-1-methylpyrazol-4-yl)ethynyl]thieno[3,2-b]thiophen-5-yl]cyclopropane-1-carboxylic acid
CID 90298703
methyl 1-(5-iodothieno[3,2-b]thiophen-2-yl)cyclopropane-1-carboxylate
CID 89449285
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96794208
1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 83703234
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
CID 82285493
1-[2-[2-[4-[[(1R)-1-phenylethoxy]carbonylamino]-3-pyridinyl]ethynyl]thieno[3,2-b]thiophen-5-yl]cyclopropane-1-carboxylic acid
CID 90298765
1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid
CID 82397884
1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid
CID 82621200
1-[2-[3-chloro-4-[1-(2-methylphenyl)ethoxycarbonylamino]-1,2-oxazol-5-yl]thieno[3,2-b]thiophen-5-yl]cyclopropane-1-carboxylic acid
CID 71265640

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid (CID 123465513) is 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid is Cc1cc2sc(C3(C(=O)O)CC3)cc2s1.
What is the InChIKey of 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is GGEDBPKJJINFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c1-6-4-7-8(14-6)5-9(15-7)11(2-3-11)10(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid?
1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 238.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123465513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).