2-(furan-2-yl)-1,3-oxathiane

C8H10O2S — CID 134895251

IUPAC2-(furan-2-yl)-1,3-oxathiane
SMILESc1coc(C2OCCCS2)c1
InChIInChI=1S/C8H10O2S/c1-3-7(9-4-1)8-10-5-2-6-11-8/h1,3-4,8H,2,5-6H2
InChIKeyNLPRHVCGCMHTIB-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.43
Rot. Bonds1

About 2-(furan-2-yl)-1,3-oxathiane

2-(furan-2-yl)-1,3-oxathiane (PubChem CID 134895251) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-oxathiane.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-oxathiane
PubChem CID134895251
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-(furan-2-yl)-1,3-oxathiane
SMILESc1coc(C2OCCCS2)c1
InChIInChI=1S/C8H10O2S/c1-3-7(9-4-1)8-10-5-2-6-11-8/h1,3-4,8H,2,5-6H2
InChIKeyNLPRHVCGCMHTIB-UHFFFAOYSA-N
XLogP2.43
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-oxathiane?
The IUPAC name of 2-(furan-2-yl)-1,3-oxathiane (CID 134895251) is 2-(furan-2-yl)-1,3-oxathiane.
What is the SMILES notation for 2-(furan-2-yl)-1,3-oxathiane?
The canonical SMILES for 2-(furan-2-yl)-1,3-oxathiane is c1coc(C2OCCCS2)c1.
What is the InChIKey of 2-(furan-2-yl)-1,3-oxathiane?
The InChIKey is NLPRHVCGCMHTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-7(9-4-1)8-10-5-2-6-11-8/h1,3-4,8H,2,5-6H2.
What are the key properties of 2-(furan-2-yl)-1,3-oxathiane?
2-(furan-2-yl)-1,3-oxathiane has a molecular weight of 170.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-oxathiane is sourced from PubChem (CID 134895251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).