diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate

C3H12N4S4 — CID 87867679

IUPACdiazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
SMILESC(NC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]
InChIInChI=1S/C3H6N2S4.2H3N/c6-2(7)4-1-5-3(8)9;;/h1H2,(H2,4,6,7)(H2,5,8,9);2*1H3
InChIKeyTWSQJUOOSLIHHC-UHFFFAOYSA-N
MW232.40 g/mol
LogP—
Rot. Bonds2

About diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate

diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate (PubChem CID 87867679) has the molecular formula C3H12N4S4 and a molecular weight of 232.40 g/mol. Its IUPAC name is diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate.

Molecular Properties

Compound Namediazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
PubChem CID87867679
Molecular FormulaC3H12N4S4
Molecular Weight232.40 g/mol
Exact Mass231.99
IUPAC Namediazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
SMILESC(NC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]
InChIInChI=1S/C3H6N2S4.2H3N/c6-2(7)4-1-5-3(8)9;;/h1H2,(H2,4,6,7)(H2,5,8,9);2*1H3
InChIKeyTWSQJUOOSLIHHC-UHFFFAOYSA-N
XLogP—
TPSA92.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity98

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate?
The IUPAC name of diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate (CID 87867679) is diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate.
What is the SMILES notation for diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate?
The canonical SMILES for diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate is C(NC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+].
What is the InChIKey of diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate?
The InChIKey is TWSQJUOOSLIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S4.2H3N/c6-2(7)4-1-5-3(8)9;;/h1H2,(H2,4,6,7)(H2,5,8,9);2*1H3.
What are the key properties of diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate?
diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate has a molecular weight of 232.40 g/mol, XLogP of not available, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate is sourced from PubChem (CID 87867679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).