4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene

C7H10S — CID 130196604

IUPAC4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene
SMILESC1=C2CCCC2CS1
InChIInChI=1S/C7H10S/c1-2-6-4-8-5-7(6)3-1/h4,7H,1-3,5H2
InChIKeyXMDDTCZODJJIIX-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.42
Rot. Bonds

About 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene

4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene (PubChem CID 130196604) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene
PubChem CID130196604
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene
SMILESC1=C2CCCC2CS1
InChIInChI=1S/C7H10S/c1-2-6-4-8-5-7(6)3-1/h4,7H,1-3,5H2
InChIKeyXMDDTCZODJJIIX-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene?
The IUPAC name of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene (CID 130196604) is 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene.
What is the SMILES notation for 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene?
The canonical SMILES for 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene is C1=C2CCCC2CS1.
What is the InChIKey of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene?
The InChIKey is XMDDTCZODJJIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-2-6-4-8-5-7(6)3-1/h4,7H,1-3,5H2.
What are the key properties of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene?
4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene has a molecular weight of 126.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene is sourced from PubChem (CID 130196604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).