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

C7H7ClO2S — CID 2777567

IUPACmethyl 3-chloro-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1Cl
InChIInChI=1S/C7H7ClO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3
InChIKeyBUFSIDWTJVUAER-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.50
Rot. Bonds1

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

methyl 3-chloro-4-methylthiophene-2-carboxylate (PubChem CID 2777567) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is methyl 3-chloro-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-4-methylthiophene-2-carboxylate
PubChem CID2777567
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Namemethyl 3-chloro-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1Cl
InChIInChI=1S/C7H7ClO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3
InChIKeyBUFSIDWTJVUAER-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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Related Compounds

Methyl 3-chlorothiophene-2-carboxylate
CID 2777566
Methyl 3-methylthiophene-2-carboxylate
CID 580757
Methyl 4-methylthiophene-2-carboxylate
CID 2777593
3-Chloro-4-methylthiophene-2-carboxylic acid
CID 4616920
3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester
CID 639782
3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester
CID 2778643
Methyl 4-(chloromethyl)thiophene-2-carboxylate
CID 7174225
Methyl 3-iodo-4-methylthiophene-2-carboxylate
CID 2761204
Methyl 3-bromo-4-methylthiophene-2-carboxylate
CID 2808193
Ethyl 5-chloro-4-methylthiophene-2-carboxylate
CID 12605958
Methyl 5-(chloromethyl)thiophene-3-carboxylate
CID 12926494
Methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate
CID 18434694

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-chloro-4-methylthiophene-2-carboxylate (CID 2777567) is methyl 3-chloro-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-chloro-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1Cl.
What is the InChIKey of methyl 3-chloro-4-methylthiophene-2-carboxylate?
The InChIKey is BUFSIDWTJVUAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3.
What are the key properties of methyl 3-chloro-4-methylthiophene-2-carboxylate?
methyl 3-chloro-4-methylthiophene-2-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 3-chloro-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 2777567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).