methyl 2-chloro-2-thiophen-2-ylacetate

C7H7ClO2S — CID 60704267

IUPACmethyl 2-chloro-2-thiophen-2-ylacetate
SMILESCOC(=O)C(Cl)c1cccs1
InChIInChI=1S/C7H7ClO2S/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6H,1H3
InChIKeyWPCKWZOEZHOBPT-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-chloro-2-thiophen-2-ylacetate

methyl 2-chloro-2-thiophen-2-ylacetate (PubChem CID 60704267) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is methyl 2-chloro-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-thiophen-2-ylacetate
PubChem CID60704267
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Namemethyl 2-chloro-2-thiophen-2-ylacetate
SMILESCOC(=O)C(Cl)c1cccs1
InChIInChI=1S/C7H7ClO2S/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6H,1H3
InChIKeyWPCKWZOEZHOBPT-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-thiophen-2-ylpropanoate
CID 12819459
2-chloro-N-methyl-2-thiophen-2-ylacetamide
CID 10103980
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
methyl 2-bromo-3-(1-thiophen-2-ylethylamino)propanoate
CID 103238683
methyl 2-bromo-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 103244670
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
CID 119295504
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
methyl 2-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetate
CID 54169263
methyl 2-thiophen-2-yloctanoate
CID 67745736
methyl 2-acetyl-3-thiophen-2-ylpent-4-enoate
CID 146162095

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-thiophen-2-ylacetate?
The IUPAC name of methyl 2-chloro-2-thiophen-2-ylacetate (CID 60704267) is methyl 2-chloro-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl 2-chloro-2-thiophen-2-ylacetate?
The canonical SMILES for methyl 2-chloro-2-thiophen-2-ylacetate is COC(=O)C(Cl)c1cccs1.
What is the InChIKey of methyl 2-chloro-2-thiophen-2-ylacetate?
The InChIKey is WPCKWZOEZHOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6H,1H3.
What are the key properties of methyl 2-chloro-2-thiophen-2-ylacetate?
methyl 2-chloro-2-thiophen-2-ylacetate has a molecular weight of 190.65 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-thiophen-2-ylacetate is sourced from PubChem (CID 60704267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).