2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene

C9H12S — CID 18727892

IUPAC2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCc1sc2c(c1C)CCC2
InChIInChI=1S/C9H12S/c1-6-7(2)10-9-5-3-4-8(6)9/h3-5H2,1-2H3
InChIKeyBEAIWOQOBGBGFM-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.85
Rot. Bonds

About 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene

2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 18727892) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID18727892
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCc1sc2c(c1C)CCC2
InChIInChI=1S/C9H12S/c1-6-7(2)10-9-5-3-4-8(6)9/h3-5H2,1-2H3
InChIKeyBEAIWOQOBGBGFM-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 18727892) is 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene is Cc1sc2c(c1C)CCC2.
What is the InChIKey of 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is BEAIWOQOBGBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-6-7(2)10-9-5-3-4-8(6)9/h3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 152.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 18727892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).