1-sulfanylidene-1-(sulfinatoamino)oxyethane

C2H4NO3S2- — CID 123639787

IUPAC1-sulfanylidene-1-(sulfinatoamino)oxyethane
SMILESCC(=S)ONS(=O)[O-]
InChIInChI=1S/C2H5NO3S2/c1-2(7)6-3-8(4)5/h3H,1H3,(H,4,5)/p-1
InChIKeyWQDTWPMEWHXMHR-UHFFFAOYSA-M
MW154.19 g/mol
LogP-0.35
Rot. Bonds2

About 1-sulfanylidene-1-(sulfinatoamino)oxyethane

1-sulfanylidene-1-(sulfinatoamino)oxyethane (PubChem CID 123639787) has the molecular formula C2H4NO3S2- and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-sulfanylidene-1-(sulfinatoamino)oxyethane.

Molecular Properties

Compound Name1-sulfanylidene-1-(sulfinatoamino)oxyethane
PubChem CID123639787
Molecular FormulaC2H4NO3S2-
Molecular Weight154.19 g/mol
Exact Mass153.96
IUPAC Name1-sulfanylidene-1-(sulfinatoamino)oxyethane
SMILESCC(=S)ONS(=O)[O-]
InChIInChI=1S/C2H5NO3S2/c1-2(7)6-3-8(4)5/h3H,1H3,(H,4,5)/p-1
InChIKeyWQDTWPMEWHXMHR-UHFFFAOYSA-M
XLogP-0.35
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-sulfanylidene-1-(sulfinoamino)oxyethane
CID 123639788
1-oxo-1-(sulfinatoamino)oxyethane
CID 57283346
(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
CID 57317567
(sulfinatoamino)oxymethane
CID 21394688
2-methyl-1-oxo-1-(sulfinatoamino)oxypentane
CID 57021720
2-(sulfinatoamino)oxycarbonylhex-1-ene
CID 174362559
sulfanyl-sulfanylidene-(sulfinatoamino)methane
CID 18673691
methoxy-oxo-(sulfinatoamino)methane
CID 57095260
sodium;propan-2-one;sulfite
CID 22596868
amino(sulfanylidene)methanesulfinate
CID 57256184
sodium 1-oxoethanesulfinate
CID 23715671
potassium acetyl sulfite
CID 174450467

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylidene-1-(sulfinatoamino)oxyethane?
The IUPAC name of 1-sulfanylidene-1-(sulfinatoamino)oxyethane (CID 123639787) is 1-sulfanylidene-1-(sulfinatoamino)oxyethane.
What is the SMILES notation for 1-sulfanylidene-1-(sulfinatoamino)oxyethane?
The canonical SMILES for 1-sulfanylidene-1-(sulfinatoamino)oxyethane is CC(=S)ONS(=O)[O-].
What is the InChIKey of 1-sulfanylidene-1-(sulfinatoamino)oxyethane?
The InChIKey is WQDTWPMEWHXMHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO3S2/c1-2(7)6-3-8(4)5/h3H,1H3,(H,4,5)/p-1.
What are the key properties of 1-sulfanylidene-1-(sulfinatoamino)oxyethane?
1-sulfanylidene-1-(sulfinatoamino)oxyethane has a molecular weight of 154.19 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylidene-1-(sulfinatoamino)oxyethane is sourced from PubChem (CID 123639787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).