6,6a-dihydro-3aH-cyclopenta[b]thiophene

C7H8S — CID 18987112

IUPAC6,6a-dihydro-3aH-cyclopenta[b]thiophene
SMILESC1=CC2C=CSC2C1
InChIInChI=1S/C7H8S/c1-2-6-4-5-8-7(6)3-1/h1-2,4-7H,3H2
InChIKeyDWNZYFMDOROJBC-UHFFFAOYSA-N
MW124.21 g/mol
LogP2.19
Rot. Bonds

About 6,6a-dihydro-3aH-cyclopenta[b]thiophene

6,6a-dihydro-3aH-cyclopenta[b]thiophene (PubChem CID 18987112) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is 6,6a-dihydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name6,6a-dihydro-3aH-cyclopenta[b]thiophene
PubChem CID18987112
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name6,6a-dihydro-3aH-cyclopenta[b]thiophene
SMILESC1=CC2C=CSC2C1
InChIInChI=1S/C7H8S/c1-2-6-4-5-8-7(6)3-1/h1-2,4-7H,3H2
InChIKeyDWNZYFMDOROJBC-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6,6a-dihydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of 6,6a-dihydro-3aH-cyclopenta[b]thiophene (CID 18987112) is 6,6a-dihydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 6,6a-dihydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 6,6a-dihydro-3aH-cyclopenta[b]thiophene is C1=CC2C=CSC2C1.
What is the InChIKey of 6,6a-dihydro-3aH-cyclopenta[b]thiophene?
The InChIKey is DWNZYFMDOROJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-2-6-4-5-8-7(6)3-1/h1-2,4-7H,3H2.
What are the key properties of 6,6a-dihydro-3aH-cyclopenta[b]thiophene?
6,6a-dihydro-3aH-cyclopenta[b]thiophene has a molecular weight of 124.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dihydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 18987112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).