3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

C9H14S — CID 90755630

IUPAC3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC1=CSC2CC(C)CC12
InChIInChI=1S/C9H14S/c1-6-3-8-7(2)5-10-9(8)4-6/h5-6,8-9H,3-4H2,1-2H3
InChIKeyFVQLPANKEKJSNX-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.05
Rot. Bonds

About 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (PubChem CID 90755630) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
PubChem CID90755630
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC1=CSC2CC(C)CC12
InChIInChI=1S/C9H14S/c1-6-3-8-7(2)5-10-9(8)4-6/h5-6,8-9H,3-4H2,1-2H3
InChIKeyFVQLPANKEKJSNX-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (CID 90755630) is 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is CC1=CSC2CC(C)CC12.
What is the InChIKey of 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The InChIKey is FVQLPANKEKJSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-6-3-8-7(2)5-10-9(8)4-6/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene has a molecular weight of 154.28 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 90755630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).