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

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Related Compounds

N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029796
1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81031868
[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012904
2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
CID 81014496
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855
N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride
CID 89411637
1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
CID 81025679
3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 81416251
[2-(5-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81011753

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).