2,3-dihydrothiophen-2-yl acetate

C6H8O2S — CID 19018783

IUPAC2,3-dihydrothiophen-2-yl acetate
SMILESCC(=O)OC1CC=CS1
InChIInChI=1S/C6H8O2S/c1-5(7)8-6-3-2-4-9-6/h2,4,6H,3H2,1H3
InChIKeyJLVVDEUNFPAVQU-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.53
Rot. Bonds1

About 2,3-dihydrothiophen-2-yl acetate

2,3-dihydrothiophen-2-yl acetate (PubChem CID 19018783) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 2,3-dihydrothiophen-2-yl acetate.

Molecular Properties

Compound Name2,3-dihydrothiophen-2-yl acetate
PubChem CID19018783
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name2,3-dihydrothiophen-2-yl acetate
SMILESCC(=O)OC1CC=CS1
InChIInChI=1S/C6H8O2S/c1-5(7)8-6-3-2-4-9-6/h2,4,6H,3H2,1H3
InChIKeyJLVVDEUNFPAVQU-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophen-2-yl acetate?
The IUPAC name of 2,3-dihydrothiophen-2-yl acetate (CID 19018783) is 2,3-dihydrothiophen-2-yl acetate.
What is the SMILES notation for 2,3-dihydrothiophen-2-yl acetate?
The canonical SMILES for 2,3-dihydrothiophen-2-yl acetate is CC(=O)OC1CC=CS1.
What is the InChIKey of 2,3-dihydrothiophen-2-yl acetate?
The InChIKey is JLVVDEUNFPAVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-5(7)8-6-3-2-4-9-6/h2,4,6H,3H2,1H3.
What are the key properties of 2,3-dihydrothiophen-2-yl acetate?
2,3-dihydrothiophen-2-yl acetate has a molecular weight of 144.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophen-2-yl acetate is sourced from PubChem (CID 19018783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).