1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane

C2H5N2O2S2- — CID 174385508

IUPAC1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane
SMILESNC(=S)CNS(=O)[O-]
InChIInChI=1S/C2H6N2O2S2/c3-2(7)1-4-8(5)6/h4H,1H2,(H2,3,7)(H,5,6)/p-1
InChIKeyNOXOUIQABHIEQF-UHFFFAOYSA-M
MW153.21 g/mol
LogP-1.34
Rot. Bonds3

About 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane

1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane (PubChem CID 174385508) has the molecular formula C2H5N2O2S2- and a molecular weight of 153.21 g/mol. Its IUPAC name is 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane
PubChem CID174385508
Molecular FormulaC2H5N2O2S2-
Molecular Weight153.21 g/mol
Exact Mass152.98
IUPAC Name1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane
SMILESNC(=S)CNS(=O)[O-]
InChIInChI=1S/C2H6N2O2S2/c3-2(7)1-4-8(5)6/h4H,1H2,(H2,3,7)(H,5,6)/p-1
InChIKeyNOXOUIQABHIEQF-UHFFFAOYSA-M
XLogP-1.34
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 5-1.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane?
The IUPAC name of 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane (CID 174385508) is 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane is NC(=S)CNS(=O)[O-].
What is the InChIKey of 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane?
The InChIKey is NOXOUIQABHIEQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6N2O2S2/c3-2(7)1-4-8(5)6/h4H,1H2,(H2,3,7)(H,5,6)/p-1.
What are the key properties of 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane?
1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane has a molecular weight of 153.21 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-sulfanylidene-2-(sulfinatoamino)ethane is sourced from PubChem (CID 174385508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).