1,3-dimethyl-1H-cyclopenta[c]thiophene

C9H10S — CID 21095373

IUPAC1,3-dimethyl-1H-cyclopenta[c]thiophene
SMILESCC1=C2C=CC=C2C(C)S1
InChIInChI=1S/C9H10S/c1-6-8-4-3-5-9(8)7(2)10-6/h3-6H,1-2H3
InChIKeyJLIQVEXDFHVXKZ-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.89
Rot. Bonds

About 1,3-dimethyl-1H-cyclopenta[c]thiophene

1,3-dimethyl-1H-cyclopenta[c]thiophene (PubChem CID 21095373) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 1,3-dimethyl-1H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1,3-dimethyl-1H-cyclopenta[c]thiophene
PubChem CID21095373
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name1,3-dimethyl-1H-cyclopenta[c]thiophene
SMILESCC1=C2C=CC=C2C(C)S1
InChIInChI=1S/C9H10S/c1-6-8-4-3-5-9(8)7(2)10-6/h3-6H,1-2H3
InChIKeyJLIQVEXDFHVXKZ-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dimethyl-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 1,3-dimethyl-1H-cyclopenta[c]thiophene?
The IUPAC name of 1,3-dimethyl-1H-cyclopenta[c]thiophene (CID 21095373) is 1,3-dimethyl-1H-cyclopenta[c]thiophene.
What is the SMILES notation for 1,3-dimethyl-1H-cyclopenta[c]thiophene?
The canonical SMILES for 1,3-dimethyl-1H-cyclopenta[c]thiophene is CC1=C2C=CC=C2C(C)S1.
What is the InChIKey of 1,3-dimethyl-1H-cyclopenta[c]thiophene?
The InChIKey is JLIQVEXDFHVXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-6-8-4-3-5-9(8)7(2)10-6/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-1H-cyclopenta[c]thiophene?
1,3-dimethyl-1H-cyclopenta[c]thiophene has a molecular weight of 150.25 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1H-cyclopenta[c]thiophene is sourced from PubChem (CID 21095373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).