azanium;sulfanium;dichloride

H7Cl2NS — CID 172776419

IUPACazanium;sulfanium;dichloride
SMILES[Cl-].[Cl-].[NH4+].[SH3+]
InChIInChI=1S/2ClH.H3N.H2S/h2*1H;1H3;1H2
InChIKeyNQRWCDAZJVUZMS-UHFFFAOYSA-N
MW124.04 g/mol
LogP-6.42
Rot. Bonds

About azanium;sulfanium;dichloride

azanium;sulfanium;dichloride (PubChem CID 172776419) has the molecular formula H7Cl2NS and a molecular weight of 124.04 g/mol. Its IUPAC name is azanium;sulfanium;dichloride.

Molecular Properties

Compound Nameazanium;sulfanium;dichloride
PubChem CID172776419
Molecular FormulaH7Cl2NS
Molecular Weight124.04 g/mol
Exact Mass122.97
IUPAC Nameazanium;sulfanium;dichloride
SMILES[Cl-].[Cl-].[NH4+].[SH3+]
InChIInChI=1S/2ClH.H3N.H2S/h2*1H;1H3;1H2
InChIKeyNQRWCDAZJVUZMS-UHFFFAOYSA-N
XLogP-6.42
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.04
LogP ≤ 5-6.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium;sulfanium;dichloride?
The IUPAC name of azanium;sulfanium;dichloride (CID 172776419) is azanium;sulfanium;dichloride.
What is the SMILES notation for azanium;sulfanium;dichloride?
The canonical SMILES for azanium;sulfanium;dichloride is [Cl-].[Cl-].[NH4+].[SH3+].
What is the InChIKey of azanium;sulfanium;dichloride?
The InChIKey is NQRWCDAZJVUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.H3N.H2S/h2*1H;1H3;1H2.
What are the key properties of azanium;sulfanium;dichloride?
azanium;sulfanium;dichloride has a molecular weight of 124.04 g/mol, XLogP of -6.42, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;sulfanium;dichloride is sourced from PubChem (CID 172776419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).