6-prop-2-enylthieno[3,2-b]thiophene

C9H8S2 — CID 67089338

IUPAC6-prop-2-enylthieno[3,2-b]thiophene
SMILESC=CCc1csc2ccsc12
InChIInChI=1S/C9H8S2/c1-2-3-7-6-11-8-4-5-10-9(7)8/h2,4-6H,1,3H2
InChIKeyDZXMBBCHEMTKSE-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.69
Rot. Bonds2

About 6-prop-2-enylthieno[3,2-b]thiophene

6-prop-2-enylthieno[3,2-b]thiophene (PubChem CID 67089338) has the molecular formula C9H8S2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 6-prop-2-enylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name6-prop-2-enylthieno[3,2-b]thiophene
PubChem CID67089338
Molecular FormulaC9H8S2
Molecular Weight180.30 g/mol
Exact Mass180.01
IUPAC Name6-prop-2-enylthieno[3,2-b]thiophene
SMILESC=CCc1csc2ccsc12
InChIInChI=1S/C9H8S2/c1-2-3-7-6-11-8-4-5-10-9(7)8/h2,4-6H,1,3H2
InChIKeyDZXMBBCHEMTKSE-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enylthieno[3,2-b]thiophene?
The IUPAC name of 6-prop-2-enylthieno[3,2-b]thiophene (CID 67089338) is 6-prop-2-enylthieno[3,2-b]thiophene.
What is the SMILES notation for 6-prop-2-enylthieno[3,2-b]thiophene?
The canonical SMILES for 6-prop-2-enylthieno[3,2-b]thiophene is C=CCc1csc2ccsc12.
What is the InChIKey of 6-prop-2-enylthieno[3,2-b]thiophene?
The InChIKey is DZXMBBCHEMTKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S2/c1-2-3-7-6-11-8-4-5-10-9(7)8/h2,4-6H,1,3H2.
What are the key properties of 6-prop-2-enylthieno[3,2-b]thiophene?
6-prop-2-enylthieno[3,2-b]thiophene has a molecular weight of 180.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enylthieno[3,2-b]thiophene is sourced from PubChem (CID 67089338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).