sulfanyl-sulfanylidene-(sulfinatoamino)methane

CH2NO2S3- — CID 18673691

IUPACsulfanyl-sulfanylidene-(sulfinatoamino)methane
SMILESO=S([O-])NC(=S)S
InChIInChI=1S/CH3NO2S3/c3-7(4)2-1(5)6/h(H,3,4)(H2,2,5,6)/p-1
InChIKeyYPMDGFSQOUXGGZ-UHFFFAOYSA-M
MW156.23 g/mol
LogP-0.42
Rot. Bonds1

About sulfanyl-sulfanylidene-(sulfinatoamino)methane

sulfanyl-sulfanylidene-(sulfinatoamino)methane (PubChem CID 18673691) has the molecular formula CH2NO2S3- and a molecular weight of 156.23 g/mol. Its IUPAC name is sulfanyl-sulfanylidene-(sulfinatoamino)methane.

Molecular Properties

Compound Namesulfanyl-sulfanylidene-(sulfinatoamino)methane
PubChem CID18673691
Molecular FormulaCH2NO2S3-
Molecular Weight156.23 g/mol
Exact Mass155.93
IUPAC Namesulfanyl-sulfanylidene-(sulfinatoamino)methane
SMILESO=S([O-])NC(=S)S
InChIInChI=1S/CH3NO2S3/c3-7(4)2-1(5)6/h(H,3,4)(H2,2,5,6)/p-1
InChIKeyYPMDGFSQOUXGGZ-UHFFFAOYSA-M
XLogP-0.42
TPSA52.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174493441
CID 174493441
CID 18914755
CID 18914755
methoxy-oxo-(sulfinatoamino)methane
CID 57095260
1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane
CID 57062778
1-hydroxy-1,3-dioxo-3-(sulfinatoamino)propane
CID 131975255
1-sulfanylidene-1-(sulfinatoamino)oxyethane
CID 123639787
dipotassium;carbonothioic O,S-acid;sulfite
CID 175302282
amino(sulfanylidene)methanesulfinate
CID 57256184
(3E)-4-(sulfinatoamino)penta-1,3-diene
CID 156566228
[methyl(sulfinatocarbamoyl)amino]ethane
CID 163554716
3-(sulfinatocarbamoylcarbamoyloxy)prop-1-ene
CID 175211409
azanylidyne-(sulfinatoamino)methane
CID 54331989

Frequently Asked Questions

What is the IUPAC name of sulfanyl-sulfanylidene-(sulfinatoamino)methane?
The IUPAC name of sulfanyl-sulfanylidene-(sulfinatoamino)methane (CID 18673691) is sulfanyl-sulfanylidene-(sulfinatoamino)methane.
What is the SMILES notation for sulfanyl-sulfanylidene-(sulfinatoamino)methane?
The canonical SMILES for sulfanyl-sulfanylidene-(sulfinatoamino)methane is O=S([O-])NC(=S)S.
What is the InChIKey of sulfanyl-sulfanylidene-(sulfinatoamino)methane?
The InChIKey is YPMDGFSQOUXGGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO2S3/c3-7(4)2-1(5)6/h(H,3,4)(H2,2,5,6)/p-1.
What are the key properties of sulfanyl-sulfanylidene-(sulfinatoamino)methane?
sulfanyl-sulfanylidene-(sulfinatoamino)methane has a molecular weight of 156.23 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl-sulfanylidene-(sulfinatoamino)methane is sourced from PubChem (CID 18673691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).