1-(diazonioamino)-2-sulfanylethane

C2H6N3S+ — CID 118467512

IUPAC1-(diazonioamino)-2-sulfanylethane
SMILESN#[N+]NCCS
InChIInChI=1S/C2H5N3S/c3-5-4-1-2-6/h4H,1-2H2/p+1
InChIKeyQBAYGDBLDXEIJP-UHFFFAOYSA-O
MW104.16 g/mol
LogP0.27
Rot. Bonds2

About 1-(diazonioamino)-2-sulfanylethane

1-(diazonioamino)-2-sulfanylethane (PubChem CID 118467512) has the molecular formula C2H6N3S+ and a molecular weight of 104.16 g/mol. Its IUPAC name is 1-(diazonioamino)-2-sulfanylethane.

Molecular Properties

Compound Name1-(diazonioamino)-2-sulfanylethane
PubChem CID118467512
Molecular FormulaC2H6N3S+
Molecular Weight104.16 g/mol
Exact Mass104.03
IUPAC Name1-(diazonioamino)-2-sulfanylethane
SMILESN#[N+]NCCS
InChIInChI=1S/C2H5N3S/c3-5-4-1-2-6/h4H,1-2H2/p+1
InChIKeyQBAYGDBLDXEIJP-UHFFFAOYSA-O
XLogP0.27
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diazonioamino)-2-sulfanylethane?
The IUPAC name of 1-(diazonioamino)-2-sulfanylethane (CID 118467512) is 1-(diazonioamino)-2-sulfanylethane.
What is the SMILES notation for 1-(diazonioamino)-2-sulfanylethane?
The canonical SMILES for 1-(diazonioamino)-2-sulfanylethane is N#[N+]NCCS.
What is the InChIKey of 1-(diazonioamino)-2-sulfanylethane?
The InChIKey is QBAYGDBLDXEIJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5N3S/c3-5-4-1-2-6/h4H,1-2H2/p+1.
What are the key properties of 1-(diazonioamino)-2-sulfanylethane?
1-(diazonioamino)-2-sulfanylethane has a molecular weight of 104.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazonioamino)-2-sulfanylethane is sourced from PubChem (CID 118467512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).