cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane

C7H9NO2S — CID 175748436

IUPACcyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccco1)C1CC1
InChIInChI=1S/C7H9NO2S/c8-11(9,6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8H,3-4H2
InChIKeyLJWHVKKGKBTTAS-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.85
Rot. Bonds2

About cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane

cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane (PubChem CID 175748436) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane
PubChem CID175748436
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namecyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccco1)C1CC1
InChIInChI=1S/C7H9NO2S/c8-11(9,6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8H,3-4H2
InChIKeyLJWHVKKGKBTTAS-UHFFFAOYSA-N
XLogP1.85
TPSA54.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane?
The IUPAC name of cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane (CID 175748436) is cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane?
The canonical SMILES for cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(c1ccco1)C1CC1.
What is the InChIKey of cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane?
The InChIKey is LJWHVKKGKBTTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c8-11(9,6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8H,3-4H2.
What are the key properties of cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane?
cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane has a molecular weight of 171.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(furan-2-yl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 175748436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).