5-methylsulfanylthieno[3,2-b]thiophene

C7H6S3 — CID 15766513

IUPAC5-methylsulfanylthieno[3,2-b]thiophene
SMILESCSc1cc2sccc2s1
InChIInChI=1S/C7H6S3/c1-8-7-4-6-5(10-7)2-3-9-6/h2-4H,1H3
InChIKeyXQDBYIKFYZFVEP-UHFFFAOYSA-N
MW186.33 g/mol
LogP3.68
Rot. Bonds1

About 5-methylsulfanylthieno[3,2-b]thiophene

5-methylsulfanylthieno[3,2-b]thiophene (PubChem CID 15766513) has the molecular formula C7H6S3 and a molecular weight of 186.33 g/mol. Its IUPAC name is 5-methylsulfanylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-methylsulfanylthieno[3,2-b]thiophene
PubChem CID15766513
Molecular FormulaC7H6S3
Molecular Weight186.33 g/mol
Exact Mass185.96
IUPAC Name5-methylsulfanylthieno[3,2-b]thiophene
SMILESCSc1cc2sccc2s1
InChIInChI=1S/C7H6S3/c1-8-7-4-6-5(10-7)2-3-9-6/h2-4H,1H3
InChIKeyXQDBYIKFYZFVEP-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylthieno[3,2-b]thiophene?
The IUPAC name of 5-methylsulfanylthieno[3,2-b]thiophene (CID 15766513) is 5-methylsulfanylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-methylsulfanylthieno[3,2-b]thiophene?
The canonical SMILES for 5-methylsulfanylthieno[3,2-b]thiophene is CSc1cc2sccc2s1.
What is the InChIKey of 5-methylsulfanylthieno[3,2-b]thiophene?
The InChIKey is XQDBYIKFYZFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6S3/c1-8-7-4-6-5(10-7)2-3-9-6/h2-4H,1H3.
What are the key properties of 5-methylsulfanylthieno[3,2-b]thiophene?
5-methylsulfanylthieno[3,2-b]thiophene has a molecular weight of 186.33 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylthieno[3,2-b]thiophene is sourced from PubChem (CID 15766513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).