furan;3H-1,3-oxazol-2-one;sulfane

C7H9NO3S — CID 174399677

IUPACfuran;3H-1,3-oxazol-2-one;sulfane
SMILESO=c1[nH]cco1.S.c1ccoc1
InChIInChI=1S/C4H4O.C3H3NO2.H2S/c1-2-4-5-3-1;5-3-4-1-2-6-3;/h1-4H;1-2H,(H,4,5);1H2
InChIKeyKRTYHJXSPCFODJ-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.36
Rot. Bonds

About furan;3H-1,3-oxazol-2-one;sulfane

furan;3H-1,3-oxazol-2-one;sulfane (PubChem CID 174399677) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is furan;3H-1,3-oxazol-2-one;sulfane.

Molecular Properties

Compound Namefuran;3H-1,3-oxazol-2-one;sulfane
PubChem CID174399677
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namefuran;3H-1,3-oxazol-2-one;sulfane
SMILESO=c1[nH]cco1.S.c1ccoc1
InChIInChI=1S/C4H4O.C3H3NO2.H2S/c1-2-4-5-3-1;5-3-4-1-2-6-3;/h1-4H;1-2H,(H,4,5);1H2
InChIKeyKRTYHJXSPCFODJ-UHFFFAOYSA-N
XLogP1.36
TPSA59.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan;3H-1,3-oxazol-2-one;sulfane?
The IUPAC name of furan;3H-1,3-oxazol-2-one;sulfane (CID 174399677) is furan;3H-1,3-oxazol-2-one;sulfane.
What is the SMILES notation for furan;3H-1,3-oxazol-2-one;sulfane?
The canonical SMILES for furan;3H-1,3-oxazol-2-one;sulfane is O=c1[nH]cco1.S.c1ccoc1.
What is the InChIKey of furan;3H-1,3-oxazol-2-one;sulfane?
The InChIKey is KRTYHJXSPCFODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C3H3NO2.H2S/c1-2-4-5-3-1;5-3-4-1-2-6-3;/h1-4H;1-2H,(H,4,5);1H2.
What are the key properties of furan;3H-1,3-oxazol-2-one;sulfane?
furan;3H-1,3-oxazol-2-one;sulfane has a molecular weight of 187.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;3H-1,3-oxazol-2-one;sulfane is sourced from PubChem (CID 174399677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).