1-sulfanylidene-1-(sulfinoamino)oxyethane

C2H5NO3S2 — CID 123639788

IUPAC1-sulfanylidene-1-(sulfinoamino)oxyethane
SMILESCC(=S)ONS(=O)O
InChIInChI=1S/C2H5NO3S2/c1-2(7)6-3-8(4)5/h3H,1H3,(H,4,5)
InChIKeyWQDTWPMEWHXMHR-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.01
Rot. Bonds2

About 1-sulfanylidene-1-(sulfinoamino)oxyethane

1-sulfanylidene-1-(sulfinoamino)oxyethane (PubChem CID 123639788) has the molecular formula C2H5NO3S2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-sulfanylidene-1-(sulfinoamino)oxyethane.

Molecular Properties

Compound Name1-sulfanylidene-1-(sulfinoamino)oxyethane
PubChem CID123639788
Molecular FormulaC2H5NO3S2
Molecular Weight155.20 g/mol
Exact Mass154.97
IUPAC Name1-sulfanylidene-1-(sulfinoamino)oxyethane
SMILESCC(=S)ONS(=O)O
InChIInChI=1S/C2H5NO3S2/c1-2(7)6-3-8(4)5/h3H,1H3,(H,4,5)
InChIKeyWQDTWPMEWHXMHR-UHFFFAOYSA-N
XLogP-0.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-sulfanylidene-1-(sulfinoamino)oxyethane?
The IUPAC name of 1-sulfanylidene-1-(sulfinoamino)oxyethane (CID 123639788) is 1-sulfanylidene-1-(sulfinoamino)oxyethane.
What is the SMILES notation for 1-sulfanylidene-1-(sulfinoamino)oxyethane?
The canonical SMILES for 1-sulfanylidene-1-(sulfinoamino)oxyethane is CC(=S)ONS(=O)O.
What is the InChIKey of 1-sulfanylidene-1-(sulfinoamino)oxyethane?
The InChIKey is WQDTWPMEWHXMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3S2/c1-2(7)6-3-8(4)5/h3H,1H3,(H,4,5).
What are the key properties of 1-sulfanylidene-1-(sulfinoamino)oxyethane?
1-sulfanylidene-1-(sulfinoamino)oxyethane has a molecular weight of 155.20 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylidene-1-(sulfinoamino)oxyethane is sourced from PubChem (CID 123639788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).