methyl 2-(5-chlorothiophen-2-yl)acetate

C7H7ClO2S — CID 4714994

IUPACmethyl 2-(5-chlorothiophen-2-yl)acetate
SMILESCOC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C7H7ClO2S/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3H,4H2,1H3
InChIKeyUDCBKVJFXVVZEI-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.12
Rot. Bonds2

About methyl 2-(5-chlorothiophen-2-yl)acetate

methyl 2-(5-chlorothiophen-2-yl)acetate (PubChem CID 4714994) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is methyl 2-(5-chlorothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chlorothiophen-2-yl)acetate
PubChem CID4714994
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Namemethyl 2-(5-chlorothiophen-2-yl)acetate
SMILESCOC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C7H7ClO2S/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3H,4H2,1H3
InChIKeyUDCBKVJFXVVZEI-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chlorothiophen-2-yl)acetate?
The IUPAC name of methyl 2-(5-chlorothiophen-2-yl)acetate (CID 4714994) is methyl 2-(5-chlorothiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-chlorothiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(5-chlorothiophen-2-yl)acetate is COC(=O)Cc1ccc(Cl)s1.
What is the InChIKey of methyl 2-(5-chlorothiophen-2-yl)acetate?
The InChIKey is UDCBKVJFXVVZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(5-chlorothiophen-2-yl)acetate?
methyl 2-(5-chlorothiophen-2-yl)acetate has a molecular weight of 190.65 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chlorothiophen-2-yl)acetate is sourced from PubChem (CID 4714994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).