2-chloro-5-(2-ethylcyclopropyl)thiophene

C9H11ClS — CID 174655040

IUPAC2-chloro-5-(2-ethylcyclopropyl)thiophene
SMILESCCC1CC1c1ccc(Cl)s1
InChIInChI=1S/C9H11ClS/c1-2-6-5-7(6)8-3-4-9(10)11-8/h3-4,6-7H,2,5H2,1H3
InChIKeyBONUTBWDXYTZJT-UHFFFAOYSA-N
MW186.71 g/mol
LogP3.91
Rot. Bonds2

About 2-chloro-5-(2-ethylcyclopropyl)thiophene

2-chloro-5-(2-ethylcyclopropyl)thiophene (PubChem CID 174655040) has the molecular formula C9H11ClS and a molecular weight of 186.71 g/mol. Its IUPAC name is 2-chloro-5-(2-ethylcyclopropyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2-ethylcyclopropyl)thiophene
PubChem CID174655040
Molecular FormulaC9H11ClS
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name2-chloro-5-(2-ethylcyclopropyl)thiophene
SMILESCCC1CC1c1ccc(Cl)s1
InChIInChI=1S/C9H11ClS/c1-2-6-5-7(6)8-3-4-9(10)11-8/h3-4,6-7H,2,5H2,1H3
InChIKeyBONUTBWDXYTZJT-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-5-(2-ethylcyclopropyl)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 2-chloro-5-(2-ethylcyclopropyl)thiophene?
The IUPAC name of 2-chloro-5-(2-ethylcyclopropyl)thiophene (CID 174655040) is 2-chloro-5-(2-ethylcyclopropyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2-ethylcyclopropyl)thiophene?
The canonical SMILES for 2-chloro-5-(2-ethylcyclopropyl)thiophene is CCC1CC1c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2-ethylcyclopropyl)thiophene?
The InChIKey is BONUTBWDXYTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClS/c1-2-6-5-7(6)8-3-4-9(10)11-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-chloro-5-(2-ethylcyclopropyl)thiophene?
2-chloro-5-(2-ethylcyclopropyl)thiophene has a molecular weight of 186.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-ethylcyclopropyl)thiophene is sourced from PubChem (CID 174655040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).