3-propan-2-ylthieno[3,4-b]thiophene

C9H10S2 — CID 89346622

IUPAC3-propan-2-ylthieno[3,4-b]thiophene
SMILESCC(C)c1csc2cscc12
InChIInChI=1S/C9H10S2/c1-6(2)7-4-11-9-5-10-3-8(7)9/h3-6H,1-2H3
InChIKeyHJAPZEMFYSSIDI-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.09
Rot. Bonds1

About 3-propan-2-ylthieno[3,4-b]thiophene

3-propan-2-ylthieno[3,4-b]thiophene (PubChem CID 89346622) has the molecular formula C9H10S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-propan-2-ylthieno[3,4-b]thiophene.

Molecular Properties

Compound Name3-propan-2-ylthieno[3,4-b]thiophene
PubChem CID89346622
Molecular FormulaC9H10S2
Molecular Weight182.31 g/mol
Exact Mass182.02
IUPAC Name3-propan-2-ylthieno[3,4-b]thiophene
SMILESCC(C)c1csc2cscc12
InChIInChI=1S/C9H10S2/c1-6(2)7-4-11-9-5-10-3-8(7)9/h3-6H,1-2H3
InChIKeyHJAPZEMFYSSIDI-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylthieno[3,4-b]thiophene?
The IUPAC name of 3-propan-2-ylthieno[3,4-b]thiophene (CID 89346622) is 3-propan-2-ylthieno[3,4-b]thiophene.
What is the SMILES notation for 3-propan-2-ylthieno[3,4-b]thiophene?
The canonical SMILES for 3-propan-2-ylthieno[3,4-b]thiophene is CC(C)c1csc2cscc12.
What is the InChIKey of 3-propan-2-ylthieno[3,4-b]thiophene?
The InChIKey is HJAPZEMFYSSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S2/c1-6(2)7-4-11-9-5-10-3-8(7)9/h3-6H,1-2H3.
What are the key properties of 3-propan-2-ylthieno[3,4-b]thiophene?
3-propan-2-ylthieno[3,4-b]thiophene has a molecular weight of 182.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylthieno[3,4-b]thiophene is sourced from PubChem (CID 89346622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).