5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole

C12H12N2S3 — CID 4290721

IUPAC5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2sc3scc(C)c3c2C)[nH]n1
InChIInChI=1S/C12H12N2S3/c1-6-5-16-12-10(6)7(2)11(17-12)8-4-9(15-3)14-13-8/h4-5H,1-3H3,(H,13,14)
InChIKeyQMLVGPKNVLCNNT-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.69
Rot. Bonds2

About 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole

5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole (PubChem CID 4290721) has the molecular formula C12H12N2S3 and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole
PubChem CID4290721
Molecular FormulaC12H12N2S3
Molecular Weight280.44 g/mol
Exact Mass280.02
IUPAC Name5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2sc3scc(C)c3c2C)[nH]n1
InChIInChI=1S/C12H12N2S3/c1-6-5-16-12-10(6)7(2)11(17-12)8-4-9(15-3)14-13-8/h4-5H,1-3H3,(H,13,14)
InChIKeyQMLVGPKNVLCNNT-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole?
The IUPAC name of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole (CID 4290721) is 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole is CSc1cc(-c2sc3scc(C)c3c2C)[nH]n1.
What is the InChIKey of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole?
The InChIKey is QMLVGPKNVLCNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S3/c1-6-5-16-12-10(6)7(2)11(17-12)8-4-9(15-3)14-13-8/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole?
5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole has a molecular weight of 280.44 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 4290721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).