3-methyl-3aH-cyclopenta[b]thiophene

C8H8S — CID 18451594

IUPAC3-methyl-3aH-cyclopenta[b]thiophene
SMILESCC1=CSC2=CC=CC12
InChIInChI=1S/C8H8S/c1-6-5-9-8-4-2-3-7(6)8/h2-5,7H,1H3
InChIKeySSHVKOJLNGVDDC-UHFFFAOYSA-N
MW136.22 g/mol
LogP2.71
Rot. Bonds

About 3-methyl-3aH-cyclopenta[b]thiophene

3-methyl-3aH-cyclopenta[b]thiophene (PubChem CID 18451594) has the molecular formula C8H8S and a molecular weight of 136.22 g/mol. Its IUPAC name is 3-methyl-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-methyl-3aH-cyclopenta[b]thiophene
PubChem CID18451594
Molecular FormulaC8H8S
Molecular Weight136.22 g/mol
Exact Mass136.03
IUPAC Name3-methyl-3aH-cyclopenta[b]thiophene
SMILESCC1=CSC2=CC=CC12
InChIInChI=1S/C8H8S/c1-6-5-9-8-4-2-3-7(6)8/h2-5,7H,1H3
InChIKeySSHVKOJLNGVDDC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3aH-cyclopenta[b]thiophene?
The IUPAC name of 3-methyl-3aH-cyclopenta[b]thiophene (CID 18451594) is 3-methyl-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 3-methyl-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 3-methyl-3aH-cyclopenta[b]thiophene is CC1=CSC2=CC=CC12.
What is the InChIKey of 3-methyl-3aH-cyclopenta[b]thiophene?
The InChIKey is SSHVKOJLNGVDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S/c1-6-5-9-8-4-2-3-7(6)8/h2-5,7H,1H3.
What are the key properties of 3-methyl-3aH-cyclopenta[b]thiophene?
3-methyl-3aH-cyclopenta[b]thiophene has a molecular weight of 136.22 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 18451594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).