3-chloro-5-cyclopentyl-2-methylthiophene;ethane

C12H19ClS — CID 142451002

IUPAC3-chloro-5-cyclopentyl-2-methylthiophene;ethane
SMILESCC.Cc1sc(C2CCCC2)cc1Cl
InChIInChI=1S/C10H13ClS.C2H6/c1-7-9(11)6-10(12-7)8-4-2-3-5-8;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyQEBUPHUGNOOYNB-UHFFFAOYSA-N
MW230.80 g/mol
LogP5.39
Rot. Bonds1

About 3-chloro-5-cyclopentyl-2-methylthiophene;ethane

3-chloro-5-cyclopentyl-2-methylthiophene;ethane (PubChem CID 142451002) has the molecular formula C12H19ClS and a molecular weight of 230.80 g/mol. Its IUPAC name is 3-chloro-5-cyclopentyl-2-methylthiophene;ethane.

Molecular Properties

Compound Name3-chloro-5-cyclopentyl-2-methylthiophene;ethane
PubChem CID142451002
Molecular FormulaC12H19ClS
Molecular Weight230.80 g/mol
Exact Mass230.09
IUPAC Name3-chloro-5-cyclopentyl-2-methylthiophene;ethane
SMILESCC.Cc1sc(C2CCCC2)cc1Cl
InChIInChI=1S/C10H13ClS.C2H6/c1-7-9(11)6-10(12-7)8-4-2-3-5-8;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyQEBUPHUGNOOYNB-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.80
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopentyl-2-methylthiophene;ethane?
The IUPAC name of 3-chloro-5-cyclopentyl-2-methylthiophene;ethane (CID 142451002) is 3-chloro-5-cyclopentyl-2-methylthiophene;ethane.
What is the SMILES notation for 3-chloro-5-cyclopentyl-2-methylthiophene;ethane?
The canonical SMILES for 3-chloro-5-cyclopentyl-2-methylthiophene;ethane is CC.Cc1sc(C2CCCC2)cc1Cl.
What is the InChIKey of 3-chloro-5-cyclopentyl-2-methylthiophene;ethane?
The InChIKey is QEBUPHUGNOOYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClS.C2H6/c1-7-9(11)6-10(12-7)8-4-2-3-5-8;1-2/h6,8H,2-5H2,1H3;1-2H3.
What are the key properties of 3-chloro-5-cyclopentyl-2-methylthiophene;ethane?
3-chloro-5-cyclopentyl-2-methylthiophene;ethane has a molecular weight of 230.80 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopentyl-2-methylthiophene;ethane is sourced from PubChem (CID 142451002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).