1H-cyclopenta[c]thiophene

C7H6S — CID 21095307

IUPAC1H-cyclopenta[c]thiophene
SMILESC1=CC2=CSCC2=C1
InChIInChI=1S/C7H6S/c1-2-6-4-8-5-7(6)3-1/h1-4H,5H2
InChIKeyXEBBXVCRIRGDIC-UHFFFAOYSA-N
MW122.19 g/mol
LogP2.11
Rot. Bonds

About 1H-cyclopenta[c]thiophene

1H-cyclopenta[c]thiophene (PubChem CID 21095307) has the molecular formula C7H6S and a molecular weight of 122.19 g/mol. Its IUPAC name is 1H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1H-cyclopenta[c]thiophene
PubChem CID21095307
Molecular FormulaC7H6S
Molecular Weight122.19 g/mol
Exact Mass122.02
IUPAC Name1H-cyclopenta[c]thiophene
SMILESC1=CC2=CSCC2=C1
InChIInChI=1S/C7H6S/c1-2-6-4-8-5-7(6)3-1/h1-4H,5H2
InChIKeyXEBBXVCRIRGDIC-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[c]thiophene?
The IUPAC name of 1H-cyclopenta[c]thiophene (CID 21095307) is 1H-cyclopenta[c]thiophene.
What is the SMILES notation for 1H-cyclopenta[c]thiophene?
The canonical SMILES for 1H-cyclopenta[c]thiophene is C1=CC2=CSCC2=C1.
What is the InChIKey of 1H-cyclopenta[c]thiophene?
The InChIKey is XEBBXVCRIRGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6S/c1-2-6-4-8-5-7(6)3-1/h1-4H,5H2.
What are the key properties of 1H-cyclopenta[c]thiophene?
1H-cyclopenta[c]thiophene has a molecular weight of 122.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[c]thiophene is sourced from PubChem (CID 21095307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).