methyl 2-(2,5-dichlorothiophen-3-yl)acetate

C7H6Cl2O2S — CID 54126377

IUPACmethyl 2-(2,5-dichlorothiophen-3-yl)acetate
SMILESCOC(=O)Cc1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2O2S/c1-11-6(10)3-4-2-5(8)12-7(4)9/h2H,3H2,1H3
InChIKeyNRGCSEIIQLSOPW-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.77
Rot. Bonds2

About methyl 2-(2,5-dichlorothiophen-3-yl)acetate

methyl 2-(2,5-dichlorothiophen-3-yl)acetate (PubChem CID 54126377) has the molecular formula C7H6Cl2O2S and a molecular weight of 225.10 g/mol. Its IUPAC name is methyl 2-(2,5-dichlorothiophen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichlorothiophen-3-yl)acetate
PubChem CID54126377
Molecular FormulaC7H6Cl2O2S
Molecular Weight225.10 g/mol
Exact Mass223.95
IUPAC Namemethyl 2-(2,5-dichlorothiophen-3-yl)acetate
SMILESCOC(=O)Cc1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2O2S/c1-11-6(10)3-4-2-5(8)12-7(4)9/h2H,3H2,1H3
InChIKeyNRGCSEIIQLSOPW-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichlorothiophen-3-yl)acetate?
The IUPAC name of methyl 2-(2,5-dichlorothiophen-3-yl)acetate (CID 54126377) is methyl 2-(2,5-dichlorothiophen-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,5-dichlorothiophen-3-yl)acetate?
The canonical SMILES for methyl 2-(2,5-dichlorothiophen-3-yl)acetate is COC(=O)Cc1cc(Cl)sc1Cl.
What is the InChIKey of methyl 2-(2,5-dichlorothiophen-3-yl)acetate?
The InChIKey is NRGCSEIIQLSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O2S/c1-11-6(10)3-4-2-5(8)12-7(4)9/h2H,3H2,1H3.
What are the key properties of methyl 2-(2,5-dichlorothiophen-3-yl)acetate?
methyl 2-(2,5-dichlorothiophen-3-yl)acetate has a molecular weight of 225.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dichlorothiophen-3-yl)acetate is sourced from PubChem (CID 54126377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).