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

C7H7ClS — CID 89192607

IUPAC3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESClc1csc2c1CCC2
InChIInChI=1S/C7H7ClS/c8-6-4-9-7-3-1-2-5(6)7/h4H,1-3H2
InChIKeyQVFDSALOIZXFSA-UHFFFAOYSA-N
MW158.65 g/mol
LogP2.89
Rot. Bonds

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

3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 89192607) has the molecular formula C7H7ClS and a molecular weight of 158.65 g/mol. Its IUPAC name is 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID89192607
Molecular FormulaC7H7ClS
Molecular Weight158.65 g/mol
Exact Mass158.00
IUPAC Name3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESClc1csc2c1CCC2
InChIInChI=1S/C7H7ClS/c8-6-4-9-7-3-1-2-5(6)7/h4H,1-3H2
InChIKeyQVFDSALOIZXFSA-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.65
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 89192607) is 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene is Clc1csc2c1CCC2.
What is the InChIKey of 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is QVFDSALOIZXFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClS/c8-6-4-9-7-3-1-2-5(6)7/h4H,1-3H2.
What are the key properties of 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene?
3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 158.65 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 3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 89192607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).