amino(sulfanylidene)methanesulfinate

CH2NO2S2- — CID 57256184

IUPACamino(sulfanylidene)methanesulfinate
SMILESNC(=S)S(=O)[O-]
InChIInChI=1S/CH3NO2S2/c2-1(5)6(3)4/h(H2,2,5)(H,3,4)/p-1
InChIKeyBWVJIJXAIRISPE-UHFFFAOYSA-M
MW124.17 g/mol
LogP-0.89
Rot. Bonds

About amino(sulfanylidene)methanesulfinate

amino(sulfanylidene)methanesulfinate (PubChem CID 57256184) has the molecular formula CH2NO2S2- and a molecular weight of 124.17 g/mol. Its IUPAC name is amino(sulfanylidene)methanesulfinate.

Molecular Properties

Compound Nameamino(sulfanylidene)methanesulfinate
PubChem CID57256184
Molecular FormulaCH2NO2S2-
Molecular Weight124.17 g/mol
Exact Mass123.95
IUPAC Nameamino(sulfanylidene)methanesulfinate
SMILESNC(=S)S(=O)[O-]
InChIInChI=1S/CH3NO2S2/c2-1(5)6(3)4/h(H2,2,5)(H,3,4)/p-1
InChIKeyBWVJIJXAIRISPE-UHFFFAOYSA-M
XLogP-0.89
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 59389736

Frequently Asked Questions

What is the IUPAC name of amino(sulfanylidene)methanesulfinate?
The IUPAC name of amino(sulfanylidene)methanesulfinate (CID 57256184) is amino(sulfanylidene)methanesulfinate.
What is the SMILES notation for amino(sulfanylidene)methanesulfinate?
The canonical SMILES for amino(sulfanylidene)methanesulfinate is NC(=S)S(=O)[O-].
What is the InChIKey of amino(sulfanylidene)methanesulfinate?
The InChIKey is BWVJIJXAIRISPE-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO2S2/c2-1(5)6(3)4/h(H2,2,5)(H,3,4)/p-1.
What are the key properties of amino(sulfanylidene)methanesulfinate?
amino(sulfanylidene)methanesulfinate has a molecular weight of 124.17 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(sulfanylidene)methanesulfinate is sourced from PubChem (CID 57256184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).