methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane

C4H9NO2S2 — CID 167121234

IUPACmethyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane
SMILESCS(=O)(=NS)C1COC1
InChIInChI=1S/C4H9NO2S2/c1-9(6,5-8)4-2-7-3-4/h4,8H,2-3H2,1H3
InChIKeyABPZXWSYZIVSCC-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.33
Rot. Bonds1

About methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane

methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane (PubChem CID 167121234) has the molecular formula C4H9NO2S2 and a molecular weight of 167.25 g/mol. Its IUPAC name is methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane.

Molecular Properties

Compound Namemethyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane
PubChem CID167121234
Molecular FormulaC4H9NO2S2
Molecular Weight167.25 g/mol
Exact Mass167.01
IUPAC Namemethyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane
SMILESCS(=O)(=NS)C1COC1
InChIInChI=1S/C4H9NO2S2/c1-9(6,5-8)4-2-7-3-4/h4,8H,2-3H2,1H3
InChIKeyABPZXWSYZIVSCC-UHFFFAOYSA-N
XLogP0.33
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane?
The IUPAC name of methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane (CID 167121234) is methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane.
What is the SMILES notation for methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane?
The canonical SMILES for methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane is CS(=O)(=NS)C1COC1.
What is the InChIKey of methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane?
The InChIKey is ABPZXWSYZIVSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S2/c1-9(6,5-8)4-2-7-3-4/h4,8H,2-3H2,1H3.
What are the key properties of methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane?
methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane has a molecular weight of 167.25 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane is sourced from PubChem (CID 167121234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).