2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane

C10H13ClO2S — CID 70630643

IUPAC2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane
SMILESC1CC1.Cc1cc(Cl)sc1CC(=O)O
InChIInChI=1S/C7H7ClO2S.C3H6/c1-4-2-6(8)11-5(4)3-7(9)10;1-2-3-1/h2H,3H2,1H3,(H,9,10);1-3H2
InChIKeyXLZKNYQTLOUALQ-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.51
Rot. Bonds2

About 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane

2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane (PubChem CID 70630643) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane.

Molecular Properties

Compound Name2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane
PubChem CID70630643
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane
SMILESC1CC1.Cc1cc(Cl)sc1CC(=O)O
InChIInChI=1S/C7H7ClO2S.C3H6/c1-4-2-6(8)11-5(4)3-7(9)10;1-2-3-1/h2H,3H2,1H3,(H,9,10);1-3H2
InChIKeyXLZKNYQTLOUALQ-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane 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-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane?
The IUPAC name of 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane (CID 70630643) is 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane.
What is the SMILES notation for 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane?
The canonical SMILES for 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane is C1CC1.Cc1cc(Cl)sc1CC(=O)O.
What is the InChIKey of 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane?
The InChIKey is XLZKNYQTLOUALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S.C3H6/c1-4-2-6(8)11-5(4)3-7(9)10;1-2-3-1/h2H,3H2,1H3,(H,9,10);1-3H2.
What are the key properties of 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane?
2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane has a molecular weight of 232.73 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methylthiophen-2-yl)acetic acid;cyclopropane is sourced from PubChem (CID 70630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).