2-(furan-3-yl)-1-(thiolan-2-yl)ethanone

C10H12O2S — CID 83171419

IUPAC2-(furan-3-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccoc1)C1CCCS1
InChIInChI=1S/C10H12O2S/c11-9(10-2-1-5-13-10)6-8-3-4-12-7-8/h3-4,7,10H,1-2,5-6H2
InChIKeyXAOMGEPHKWHNNB-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.29
Rot. Bonds3

About 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone

2-(furan-3-yl)-1-(thiolan-2-yl)ethanone (PubChem CID 83171419) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(thiolan-2-yl)ethanone
PubChem CID83171419
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-(furan-3-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccoc1)C1CCCS1
InChIInChI=1S/C10H12O2S/c11-9(10-2-1-5-13-10)6-8-3-4-12-7-8/h3-4,7,10H,1-2,5-6H2
InChIKeyXAOMGEPHKWHNNB-UHFFFAOYSA-N
XLogP2.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone
CID 80622526
1-(6-bicyclo[3.1.0]hexanyl)-2-(furan-3-yl)ethanone
CID 115795935
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050
2-(furan-3-yl)-1-(oxolan-2-yl)ethanone
CID 83171959
2-(4-ethylphenyl)-1-(thian-2-yl)ethanone
CID 80621728
2-(furan-3-yl)-1-(5-methyloxolan-2-yl)ethanone
CID 115795921
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
2-(2,6-difluorophenyl)-1-(thiolan-2-yl)ethanone
CID 114931412
2-(3,5-difluorophenyl)-1-(thian-2-yl)ethanone
CID 105405431
2-(3,4-difluorophenyl)-1-(thian-2-yl)ethanone
CID 82920407
1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone
CID 115795938
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
CID 116584689

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone (CID 83171419) is 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone is O=C(Cc1ccoc1)C1CCCS1.
What is the InChIKey of 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone?
The InChIKey is XAOMGEPHKWHNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-9(10-2-1-5-13-10)6-8-3-4-12-7-8/h3-4,7,10H,1-2,5-6H2.
What are the key properties of 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone?
2-(furan-3-yl)-1-(thiolan-2-yl)ethanone has a molecular weight of 196.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 83171419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).