methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate

C10H13ClO2S — CID 97034573

IUPACmethyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c(CC(C)C)s1
InChIInChI=1S/C10H13ClO2S/c1-6(2)4-8-7(11)5-9(14-8)10(12)13-3/h5-6H,4H2,1-3H3
InChIKeyCBVKOLOLEOSWMU-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.39
Rot. Bonds3

About methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate

methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate (PubChem CID 97034573) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
PubChem CID97034573
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Namemethyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c(CC(C)C)s1
InChIInChI=1S/C10H13ClO2S/c1-6(2)4-8-7(11)5-9(14-8)10(12)13-3/h5-6H,4H2,1-3H3
InChIKeyCBVKOLOLEOSWMU-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-chloro-5-[(1R)-1-hydroxypropyl]thiophene-2-carboxylate
CID 68599386
methyl 5-chloro-4-fluorothiophene-2-carboxylate
CID 121232058
4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid
CID 79989991
4-chloro-5-ethylthiophene-2-carboxylic acid
CID 83877602
4-bromo-5-(2-methylpropyl)thiophene-2-carboxylic acid
CID 97034609
methyl 4-bromo-5-[(4-chlorophenyl)sulfanylmethyl]thiophene-2-carboxylate
CID 16641153
methyl 5-(2-hydroxy-2-methoxyethyl)-4-nitrothiophene-2-carboxylate
CID 176656032
methyl 4-fluoro-5-propylthiophene-2-carboxylate
CID 22134205
methyl 5-chloro-4-[[(2-chloroacetyl)amino]methyl]thiophene-2-carboxylate
CID 166414711
methyl 6-[4-(3-chloro-4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
CID 156850237
methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate
CID 146013023
methyl 4-bromo-5-[(4-chlorophenoxy)methyl]thiophene-2-carboxylate
CID 16641111

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate (CID 97034573) is methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate is COC(=O)c1cc(Cl)c(CC(C)C)s1.
What is the InChIKey of methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate?
The InChIKey is CBVKOLOLEOSWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-6(2)4-8-7(11)5-9(14-8)10(12)13-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate?
methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate has a molecular weight of 232.73 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate is sourced from PubChem (CID 97034573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).