1-thiophen-3-ylethyl acetate

C8H10O2S — CID 59753762

IUPAC1-thiophen-3-ylethyl acetate
SMILESCC(=O)OC(C)c1ccsc1
InChIInChI=1S/C8H10O2S/c1-6(10-7(2)9)8-3-4-11-5-8/h3-6H,1-2H3
InChIKeyRLNBERLMBVHYJT-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.37
Rot. Bonds2

About 1-thiophen-3-ylethyl acetate

1-thiophen-3-ylethyl acetate (PubChem CID 59753762) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-thiophen-3-ylethyl acetate.

Molecular Properties

Compound Name1-thiophen-3-ylethyl acetate
PubChem CID59753762
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name1-thiophen-3-ylethyl acetate
SMILESCC(=O)OC(C)c1ccsc1
InChIInChI=1S/C8H10O2S/c1-6(10-7(2)9)8-3-4-11-5-8/h3-6H,1-2H3
InChIKeyRLNBERLMBVHYJT-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
[4-[(R)-amino(thiophen-3-yl)methyl]phenyl] acetate;hydrochloride
CID 171229424

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylethyl acetate?
The IUPAC name of 1-thiophen-3-ylethyl acetate (CID 59753762) is 1-thiophen-3-ylethyl acetate.
What is the SMILES notation for 1-thiophen-3-ylethyl acetate?
The canonical SMILES for 1-thiophen-3-ylethyl acetate is CC(=O)OC(C)c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylethyl acetate?
The InChIKey is RLNBERLMBVHYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6(10-7(2)9)8-3-4-11-5-8/h3-6H,1-2H3.
What are the key properties of 1-thiophen-3-ylethyl acetate?
1-thiophen-3-ylethyl acetate has a molecular weight of 170.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylethyl acetate is sourced from PubChem (CID 59753762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).