[5-(chloromethyl)thiophen-2-yl] acetate

C7H7ClO2S — CID 143581485

IUPAC[5-(chloromethyl)thiophen-2-yl] acetate
SMILESCC(=O)Oc1ccc(CCl)s1
InChIInChI=1S/C7H7ClO2S/c1-5(9)10-7-3-2-6(4-8)11-7/h2-3H,4H2,1H3
InChIKeyCJFHAQQDSRZQHI-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.41
Rot. Bonds2

About [5-(chloromethyl)thiophen-2-yl] acetate

[5-(chloromethyl)thiophen-2-yl] acetate (PubChem CID 143581485) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is [5-(chloromethyl)thiophen-2-yl] acetate.

Molecular Properties

Compound Name[5-(chloromethyl)thiophen-2-yl] acetate
PubChem CID143581485
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name[5-(chloromethyl)thiophen-2-yl] acetate
SMILESCC(=O)Oc1ccc(CCl)s1
InChIInChI=1S/C7H7ClO2S/c1-5(9)10-7-3-2-6(4-8)11-7/h2-3H,4H2,1H3
InChIKeyCJFHAQQDSRZQHI-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

[5-(bromomethyl)thiophen-2-yl] acetate
CID 174791723
2-(5-acetyloxythiophen-2-yl)acetic acid
CID 57247905
(5-formylthiophen-2-yl) acetate
CID 54239970
(5-ethynylthiophen-2-yl) acetate
CID 174712384
(5-hexylthiophen-2-yl) carbonochloridate
CID 175435887
thiophen-2-yl acetate
CID 23617313
(5-carboxyoxythiophen-2-yl) hydrogen carbonate
CID 23189622
2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate
CID 175462165
[2-(chloromethyl)-1,3-thiazol-4-yl] acetate
CID 174689931
[4-chloro-2-(chloromethyl)phenyl] acetate
CID 13254480
[3-(chloromethyl)-1-benzofuran-6-yl] acetate
CID 59577463
[4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]phenyl] acetate
CID 69217279

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)thiophen-2-yl] acetate?
The IUPAC name of [5-(chloromethyl)thiophen-2-yl] acetate (CID 143581485) is [5-(chloromethyl)thiophen-2-yl] acetate.
What is the SMILES notation for [5-(chloromethyl)thiophen-2-yl] acetate?
The canonical SMILES for [5-(chloromethyl)thiophen-2-yl] acetate is CC(=O)Oc1ccc(CCl)s1.
What is the InChIKey of [5-(chloromethyl)thiophen-2-yl] acetate?
The InChIKey is CJFHAQQDSRZQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-5(9)10-7-3-2-6(4-8)11-7/h2-3H,4H2,1H3.
What are the key properties of [5-(chloromethyl)thiophen-2-yl] acetate?
[5-(chloromethyl)thiophen-2-yl] acetate has a molecular weight of 190.65 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)thiophen-2-yl] acetate is sourced from PubChem (CID 143581485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).