thiophen-2-yl acetate

C6H6O2S — CID 23617313

IUPACthiophen-2-yl acetate
SMILESCC(=O)Oc1cccs1
InChIInChI=1S/C6H6O2S/c1-5(7)8-6-3-2-4-9-6/h2-4H,1H3
InChIKeyFFVJAVUSCJCRPT-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.67
Rot. Bonds1

About thiophen-2-yl acetate

thiophen-2-yl acetate (PubChem CID 23617313) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is thiophen-2-yl acetate.

Molecular Properties

Compound Namethiophen-2-yl acetate
PubChem CID23617313
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Namethiophen-2-yl acetate
SMILESCC(=O)Oc1cccs1
InChIInChI=1S/C6H6O2S/c1-5(7)8-6-3-2-4-9-6/h2-4H,1H3
InChIKeyFFVJAVUSCJCRPT-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate
CID 67582617
CID 160726441
CID 160726441
(4-thiophen-2-ylphenyl) acetate
CID 18387761
thiophen-2-yl 4-sulfanylbutanoate
CID 87508338
(3-thiophen-2-ylthiophen-2-yl) acetate
CID 174391854
thiophen-2-yl pent-4-enoate
CID 174368768
dithiophen-2-yl 2-hydroxybutanedioate
CID 174458468
2-methyl-2-thiophen-2-yloxypropanoic acid
CID 70544771
[(1R,2R)-2-acetyloxy-1,2-dithiophen-2-ylethyl] acetate
CID 10710099
thiophen-2-yl (2S)-2-amino-4-sulfanylbutanoate
CID 174919096
[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate
CID 174548602
(thiophen-2-ylmethylideneamino) acetate
CID 90903453

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl acetate?
The IUPAC name of thiophen-2-yl acetate (CID 23617313) is thiophen-2-yl acetate.
What is the SMILES notation for thiophen-2-yl acetate?
The canonical SMILES for thiophen-2-yl acetate is CC(=O)Oc1cccs1.
What is the InChIKey of thiophen-2-yl acetate?
The InChIKey is FFVJAVUSCJCRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c1-5(7)8-6-3-2-4-9-6/h2-4H,1H3.
What are the key properties of thiophen-2-yl acetate?
thiophen-2-yl acetate has a molecular weight of 142.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl acetate is sourced from PubChem (CID 23617313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).