3,3a-dihydro-2H-cyclopenta[b]thiophene

C7H8S — CID 68600981

IUPAC3,3a-dihydro-2H-cyclopenta[b]thiophene
SMILESC1=CC2CCSC2=C1
InChIInChI=1S/C7H8S/c1-2-6-4-5-8-7(6)3-1/h1-3,6H,4-5H2
InChIKeyWEFHPOSLQPZXGC-UHFFFAOYSA-N
MW124.21 g/mol
LogP2.19
Rot. Bonds

About 3,3a-dihydro-2H-cyclopenta[b]thiophene

3,3a-dihydro-2H-cyclopenta[b]thiophene (PubChem CID 68600981) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is 3,3a-dihydro-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3,3a-dihydro-2H-cyclopenta[b]thiophene
PubChem CID68600981
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name3,3a-dihydro-2H-cyclopenta[b]thiophene
SMILESC1=CC2CCSC2=C1
InChIInChI=1S/C7H8S/c1-2-6-4-5-8-7(6)3-1/h1-3,6H,4-5H2
InChIKeyWEFHPOSLQPZXGC-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

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Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydro-2H-cyclopenta[b]thiophene?
The IUPAC name of 3,3a-dihydro-2H-cyclopenta[b]thiophene (CID 68600981) is 3,3a-dihydro-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 3,3a-dihydro-2H-cyclopenta[b]thiophene?
The canonical SMILES for 3,3a-dihydro-2H-cyclopenta[b]thiophene is C1=CC2CCSC2=C1.
What is the InChIKey of 3,3a-dihydro-2H-cyclopenta[b]thiophene?
The InChIKey is WEFHPOSLQPZXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-2-6-4-5-8-7(6)3-1/h1-3,6H,4-5H2.
What are the key properties of 3,3a-dihydro-2H-cyclopenta[b]thiophene?
3,3a-dihydro-2H-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 3,3a-dihydro-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 68600981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).