2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone

C9H12O4S — CID 102651076

IUPAC2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1=CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H12O4S/c10-9(8-2-1-4-13-8)7-3-5-14(11,12)6-7/h2,7H,1,3-6H2
InChIKeyZAIOUEUXWSLNGU-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.29
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone

2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 102651076) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone
PubChem CID102651076
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1=CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H12O4S/c10-9(8-2-1-4-13-8)7-3-5-14(11,12)6-7/h2,7H,1,3-6H2
InChIKeyZAIOUEUXWSLNGU-UHFFFAOYSA-N
XLogP0.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl(2,3-dihydrofuran-5-yl)methanone
CID 102650976
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 64911293
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646809
(1,1-dioxothiolan-3-yl)-(5-methylfuran-2-yl)methanone
CID 64913805
(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone
CID 131071085
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothiolan-3-yl)methanone
CID 114744329
(1,1-dioxothiolan-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 115336304
2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone
CID 102652763
(2-chloro-4,5-dimethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64913790
(4-amino-3-chlorophenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64906044
(1,1-dioxothiolan-3-yl)-(2-ethylphenyl)methanone
CID 62390362
6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 64911304

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone (CID 102651076) is 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone is O=C(C1=CCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is ZAIOUEUXWSLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4S/c10-9(8-2-1-4-13-8)7-3-5-14(11,12)6-7/h2,7H,1,3-6H2.
What are the key properties of 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone?
2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 216.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 102651076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).