diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate

C3H12N4S4 — CID 87867679

IUPACdiazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
SMILESS=C([S-])NCNC(=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
MW232.43 g/mol
LogP0.54
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 232.43 g/mol. Its IUPAC name is diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate.

Molecular Properties

Compound Namediazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
PubChem CID87867679
Molecular FormulaC3H12N4S4
Molecular Weight232.43 g/mol
Exact Mass231.99
IUPAC Namediazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
SMILESS=C([S-])NCNC(=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
XLogP0.54
TPSA97.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 50.54
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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Related Compounds

tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 23447061
bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 87101556
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
CID 15651749
disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 173431312
N-[[4-[(sulfidocarbothioylamino)methyl]cyclohexyl]methyl]carbamodithioate
CID 3549534
tetrakis(N-hexylcarbamodithioate);molybdenum(4+)
CID 157134437
potassium N-(2-sulfoethyl)carbamodithioate
CID 158001071
sodium N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]carbamodithioate
CID 90475849
zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
CID 161215587
magnesium dicarbamodithioate
CID 23080754
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975

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 S=C([S-])NCNC(=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 232.43 g/mol, XLogP of 0.54, 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).