2-(furan-2-yl)-1,3-oxathiolan-5-one

C7H6O3S — CID 139228180

IUPAC2-(furan-2-yl)-1,3-oxathiolan-5-one
SMILESO=C1CSC(c2ccco2)O1
InChIInChI=1S/C7H6O3S/c8-6-4-11-7(10-6)5-2-1-3-9-5/h1-3,7H,4H2
InChIKeyUVVKLKKPGNPUIV-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.57
Rot. Bonds1

About 2-(furan-2-yl)-1,3-oxathiolan-5-one

2-(furan-2-yl)-1,3-oxathiolan-5-one (PubChem CID 139228180) has the molecular formula C7H6O3S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-oxathiolan-5-one
PubChem CID139228180
Molecular FormulaC7H6O3S
Molecular Weight170.19 g/mol
Exact Mass170.00
IUPAC Name2-(furan-2-yl)-1,3-oxathiolan-5-one
SMILESO=C1CSC(c2ccco2)O1
InChIInChI=1S/C7H6O3S/c8-6-4-11-7(10-6)5-2-1-3-9-5/h1-3,7H,4H2
InChIKeyUVVKLKKPGNPUIV-UHFFFAOYSA-N
XLogP1.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1,3-oxathiane
CID 134895251
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
2-(thian-4-yl)furan
CID 68570880
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
CID 23250320
5-(furan-2-yl)-3-(oxomethylidene)oxolan-2-one
CID 86741509
(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
CID 102593358
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 134862482
cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
CID 101079486
methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 129362185

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-oxathiolan-5-one?
The IUPAC name of 2-(furan-2-yl)-1,3-oxathiolan-5-one (CID 139228180) is 2-(furan-2-yl)-1,3-oxathiolan-5-one.
What is the SMILES notation for 2-(furan-2-yl)-1,3-oxathiolan-5-one?
The canonical SMILES for 2-(furan-2-yl)-1,3-oxathiolan-5-one is O=C1CSC(c2ccco2)O1.
What is the InChIKey of 2-(furan-2-yl)-1,3-oxathiolan-5-one?
The InChIKey is UVVKLKKPGNPUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S/c8-6-4-11-7(10-6)5-2-1-3-9-5/h1-3,7H,4H2.
What are the key properties of 2-(furan-2-yl)-1,3-oxathiolan-5-one?
2-(furan-2-yl)-1,3-oxathiolan-5-one has a molecular weight of 170.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-oxathiolan-5-one is sourced from PubChem (CID 139228180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).