methyl 2-chloro-4-methylthiophene-3-carboxylate

C7H7ClO2S — CID 131063806

IUPACmethyl 2-chloro-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1Cl
InChIInChI=1S/C7H7ClO2S/c1-4-3-11-6(8)5(4)7(9)10-2/h3H,1-2H3
InChIKeyBRHYDTIRRGUVAJ-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.50
Rot. Bonds1

About methyl 2-chloro-4-methylthiophene-3-carboxylate

methyl 2-chloro-4-methylthiophene-3-carboxylate (PubChem CID 131063806) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is methyl 2-chloro-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methylthiophene-3-carboxylate
PubChem CID131063806
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Namemethyl 2-chloro-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1Cl
InChIInChI=1S/C7H7ClO2S/c1-4-3-11-6(8)5(4)7(9)10-2/h3H,1-2H3
InChIKeyBRHYDTIRRGUVAJ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-chloro-4-methylthiophene-3-carboxylate (CID 131063806) is methyl 2-chloro-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-chloro-4-methylthiophene-3-carboxylate is COC(=O)c1c(C)csc1Cl.
What is the InChIKey of methyl 2-chloro-4-methylthiophene-3-carboxylate?
The InChIKey is BRHYDTIRRGUVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-4-3-11-6(8)5(4)7(9)10-2/h3H,1-2H3.
What are the key properties of methyl 2-chloro-4-methylthiophene-3-carboxylate?
methyl 2-chloro-4-methylthiophene-3-carboxylate has a molecular weight of 190.65 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 131063806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).