methyl 2-chloro-2-thiophen-3-yloxyacetate

C7H7ClO3S — CID 57086770

IUPACmethyl 2-chloro-2-thiophen-3-yloxyacetate
SMILESCOC(=O)C(Cl)Oc1ccsc1
InChIInChI=1S/C7H7ClO3S/c1-10-7(9)6(8)11-5-2-3-12-4-5/h2-4,6H,1H3
InChIKeyZPRYKRCRYKPHJG-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-chloro-2-thiophen-3-yloxyacetate

methyl 2-chloro-2-thiophen-3-yloxyacetate (PubChem CID 57086770) has the molecular formula C7H7ClO3S and a molecular weight of 206.65 g/mol. Its IUPAC name is methyl 2-chloro-2-thiophen-3-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-thiophen-3-yloxyacetate
PubChem CID57086770
Molecular FormulaC7H7ClO3S
Molecular Weight206.65 g/mol
Exact Mass205.98
IUPAC Namemethyl 2-chloro-2-thiophen-3-yloxyacetate
SMILESCOC(=O)C(Cl)Oc1ccsc1
InChIInChI=1S/C7H7ClO3S/c1-10-7(9)6(8)11-5-2-3-12-4-5/h2-4,6H,1H3
InChIKeyZPRYKRCRYKPHJG-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-thiophen-3-yloxyacetate?
The IUPAC name of methyl 2-chloro-2-thiophen-3-yloxyacetate (CID 57086770) is methyl 2-chloro-2-thiophen-3-yloxyacetate.
What is the SMILES notation for methyl 2-chloro-2-thiophen-3-yloxyacetate?
The canonical SMILES for methyl 2-chloro-2-thiophen-3-yloxyacetate is COC(=O)C(Cl)Oc1ccsc1.
What is the InChIKey of methyl 2-chloro-2-thiophen-3-yloxyacetate?
The InChIKey is ZPRYKRCRYKPHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3S/c1-10-7(9)6(8)11-5-2-3-12-4-5/h2-4,6H,1H3.
What are the key properties of methyl 2-chloro-2-thiophen-3-yloxyacetate?
methyl 2-chloro-2-thiophen-3-yloxyacetate has a molecular weight of 206.65 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-thiophen-3-yloxyacetate is sourced from PubChem (CID 57086770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).