anilinoazanium;N-anilinocarbamodithioate

C13H16N4S2 — CID 134868096

IUPACanilinoazanium;N-anilinocarbamodithioate
SMILESS=C([S-])NNc1ccccc1.[NH3+]Nc1ccccc1
InChIInChI=1S/C7H8N2S2.C6H8N2/c10-7(11)9-8-6-4-2-1-3-5-6;7-8-6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11);1-5,8H,7H2
InChIKeyUBPOAJZJDSGZNG-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.69
Rot. Bonds3

About anilinoazanium;N-anilinocarbamodithioate

anilinoazanium;N-anilinocarbamodithioate (PubChem CID 134868096) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is anilinoazanium;N-anilinocarbamodithioate.

Molecular Properties

Compound Nameanilinoazanium;N-anilinocarbamodithioate
PubChem CID134868096
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Nameanilinoazanium;N-anilinocarbamodithioate
SMILESS=C([S-])NNc1ccccc1.[NH3+]Nc1ccccc1
InChIInChI=1S/C7H8N2S2.C6H8N2/c10-7(11)9-8-6-4-2-1-3-5-6;7-8-6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11);1-5,8H,7H2
InChIKeyUBPOAJZJDSGZNG-UHFFFAOYSA-N
XLogP1.69
TPSA63.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anilinoazanium;N-anilinocarbamodithioate?
The IUPAC name of anilinoazanium;N-anilinocarbamodithioate (CID 134868096) is anilinoazanium;N-anilinocarbamodithioate.
What is the SMILES notation for anilinoazanium;N-anilinocarbamodithioate?
The canonical SMILES for anilinoazanium;N-anilinocarbamodithioate is S=C([S-])NNc1ccccc1.[NH3+]Nc1ccccc1.
What is the InChIKey of anilinoazanium;N-anilinocarbamodithioate?
The InChIKey is UBPOAJZJDSGZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S2.C6H8N2/c10-7(11)9-8-6-4-2-1-3-5-6;7-8-6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11);1-5,8H,7H2.
What are the key properties of anilinoazanium;N-anilinocarbamodithioate?
anilinoazanium;N-anilinocarbamodithioate has a molecular weight of 292.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anilinoazanium;N-anilinocarbamodithioate is sourced from PubChem (CID 134868096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).