oxo-sulfanyl-(sulfinatoamino)methane

CH2NO3S2- — CID 57168449

IUPACoxo-sulfanyl-(sulfinatoamino)methane
SMILESO=C(S)NS(=O)[O-]
InChIInChI=1S/CH3NO3S2/c3-1(6)2-7(4)5/h(H,4,5)(H2,2,3,6)/p-1
InChIKeyQOWXCUWFKOEJOB-UHFFFAOYSA-M
MW140.16 g/mol
LogP-0.58
Rot. Bonds1

About oxo-sulfanyl-(sulfinatoamino)methane

oxo-sulfanyl-(sulfinatoamino)methane (PubChem CID 57168449) has the molecular formula CH2NO3S2- and a molecular weight of 140.16 g/mol. Its IUPAC name is oxo-sulfanyl-(sulfinatoamino)methane.

Molecular Properties

Compound Nameoxo-sulfanyl-(sulfinatoamino)methane
PubChem CID57168449
Molecular FormulaCH2NO3S2-
Molecular Weight140.16 g/mol
Exact Mass139.95
IUPAC Nameoxo-sulfanyl-(sulfinatoamino)methane
SMILESO=C(S)NS(=O)[O-]
InChIInChI=1S/CH3NO3S2/c3-1(6)2-7(4)5/h(H,4,5)(H2,2,3,6)/p-1
InChIKeyQOWXCUWFKOEJOB-UHFFFAOYSA-M
XLogP-0.58
TPSA69.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-sulfanyl-(sulfinatoamino)methane?
The IUPAC name of oxo-sulfanyl-(sulfinatoamino)methane (CID 57168449) is oxo-sulfanyl-(sulfinatoamino)methane.
What is the SMILES notation for oxo-sulfanyl-(sulfinatoamino)methane?
The canonical SMILES for oxo-sulfanyl-(sulfinatoamino)methane is O=C(S)NS(=O)[O-].
What is the InChIKey of oxo-sulfanyl-(sulfinatoamino)methane?
The InChIKey is QOWXCUWFKOEJOB-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO3S2/c3-1(6)2-7(4)5/h(H,4,5)(H2,2,3,6)/p-1.
What are the key properties of oxo-sulfanyl-(sulfinatoamino)methane?
oxo-sulfanyl-(sulfinatoamino)methane has a molecular weight of 140.16 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-sulfanyl-(sulfinatoamino)methane is sourced from PubChem (CID 57168449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).