4-propylthieno[2,3-b]thiophene 6,6-dioxide

C9H10O2S2 — CID 67912760

IUPAC4-propylthieno[2,3-b]thiophene 6,6-dioxide
SMILESCCCC1=CS(=O)(=O)c2sccc21
InChIInChI=1S/C9H10O2S2/c1-2-3-7-6-13(10,11)9-8(7)4-5-12-9/h4-6H,2-3H2,1H3
InChIKeyCLSKMAPLCYWRLZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.68
Rot. Bonds2

About 4-propylthieno[2,3-b]thiophene 6,6-dioxide

4-propylthieno[2,3-b]thiophene 6,6-dioxide (PubChem CID 67912760) has the molecular formula C9H10O2S2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-propylthieno[2,3-b]thiophene 6,6-dioxide.

Molecular Properties

Compound Name4-propylthieno[2,3-b]thiophene 6,6-dioxide
PubChem CID67912760
Molecular FormulaC9H10O2S2
Molecular Weight214.31 g/mol
Exact Mass214.01
IUPAC Name4-propylthieno[2,3-b]thiophene 6,6-dioxide
SMILESCCCC1=CS(=O)(=O)c2sccc21
InChIInChI=1S/C9H10O2S2/c1-2-3-7-6-13(10,11)9-8(7)4-5-12-9/h4-6H,2-3H2,1H3
InChIKeyCLSKMAPLCYWRLZ-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propylthieno[2,3-b]thiophene 6,6-dioxide?
The IUPAC name of 4-propylthieno[2,3-b]thiophene 6,6-dioxide (CID 67912760) is 4-propylthieno[2,3-b]thiophene 6,6-dioxide.
What is the SMILES notation for 4-propylthieno[2,3-b]thiophene 6,6-dioxide?
The canonical SMILES for 4-propylthieno[2,3-b]thiophene 6,6-dioxide is CCCC1=CS(=O)(=O)c2sccc21.
What is the InChIKey of 4-propylthieno[2,3-b]thiophene 6,6-dioxide?
The InChIKey is CLSKMAPLCYWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S2/c1-2-3-7-6-13(10,11)9-8(7)4-5-12-9/h4-6H,2-3H2,1H3.
What are the key properties of 4-propylthieno[2,3-b]thiophene 6,6-dioxide?
4-propylthieno[2,3-b]thiophene 6,6-dioxide has a molecular weight of 214.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylthieno[2,3-b]thiophene 6,6-dioxide is sourced from PubChem (CID 67912760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).