5-methyl-6aH-cyclopenta[b]thiophene

C8H8S — CID 18426482

IUPAC5-methyl-6aH-cyclopenta[b]thiophene
SMILESCC1=CC2SC=CC2=C1
InChIInChI=1S/C8H8S/c1-6-4-7-2-3-9-8(7)5-6/h2-5,8H,1H3
InChIKeyBUEZVNFRFKHWQS-UHFFFAOYSA-N
MW136.22 g/mol
LogP2.50
Rot. Bonds

About 5-methyl-6aH-cyclopenta[b]thiophene

5-methyl-6aH-cyclopenta[b]thiophene (PubChem CID 18426482) has the molecular formula C8H8S and a molecular weight of 136.22 g/mol. Its IUPAC name is 5-methyl-6aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name5-methyl-6aH-cyclopenta[b]thiophene
PubChem CID18426482
Molecular FormulaC8H8S
Molecular Weight136.22 g/mol
Exact Mass136.03
IUPAC Name5-methyl-6aH-cyclopenta[b]thiophene
SMILESCC1=CC2SC=CC2=C1
InChIInChI=1S/C8H8S/c1-6-4-7-2-3-9-8(7)5-6/h2-5,8H,1H3
InChIKeyBUEZVNFRFKHWQS-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6aH-cyclopenta[b]thiophene?
The IUPAC name of 5-methyl-6aH-cyclopenta[b]thiophene (CID 18426482) is 5-methyl-6aH-cyclopenta[b]thiophene.
What is the SMILES notation for 5-methyl-6aH-cyclopenta[b]thiophene?
The canonical SMILES for 5-methyl-6aH-cyclopenta[b]thiophene is CC1=CC2SC=CC2=C1.
What is the InChIKey of 5-methyl-6aH-cyclopenta[b]thiophene?
The InChIKey is BUEZVNFRFKHWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S/c1-6-4-7-2-3-9-8(7)5-6/h2-5,8H,1H3.
What are the key properties of 5-methyl-6aH-cyclopenta[b]thiophene?
5-methyl-6aH-cyclopenta[b]thiophene has a molecular weight of 136.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6aH-cyclopenta[b]thiophene is sourced from PubChem (CID 18426482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).