[[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate

C7H14N2S4 — CID 87614118

IUPAC[[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate
SMILESC[N+](C)(C[N+](C)(C)C(=S)[S-])C(=S)[S-]
InChIInChI=1S/C7H14N2S4/c1-8(2,6(10)11)5-9(3,4)7(12)13/h5H2,1-4H3
InChIKeyJKTCDNXMVLTZSO-UHFFFAOYSA-N
MW254.47 g/mol
LogP0.76
Rot. Bonds2

About [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate

[[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate (PubChem CID 87614118) has the molecular formula C7H14N2S4 and a molecular weight of 254.47 g/mol. Its IUPAC name is [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate.

Molecular Properties

Compound Name[[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate
PubChem CID87614118
Molecular FormulaC7H14N2S4
Molecular Weight254.47 g/mol
Exact Mass254.00
IUPAC Name[[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate
SMILESC[N+](C)(C[N+](C)(C)C(=S)[S-])C(=S)[S-]
InChIInChI=1S/C7H14N2S4/c1-8(2,6(10)11)5-9(3,4)7(12)13/h5H2,1-4H3
InChIKeyJKTCDNXMVLTZSO-UHFFFAOYSA-N
XLogP0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate?
The IUPAC name of [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate (CID 87614118) is [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate.
What is the SMILES notation for [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate?
The canonical SMILES for [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate is C[N+](C)(C[N+](C)(C)C(=S)[S-])C(=S)[S-].
What is the InChIKey of [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate?
The InChIKey is JKTCDNXMVLTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S4/c1-8(2,6(10)11)5-9(3,4)7(12)13/h5H2,1-4H3.
What are the key properties of [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate?
[[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate has a molecular weight of 254.47 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[dimethyl(sulfidocarbothioyl)azaniumyl]methyl-dimethylazaniumyl]methanedithioate is sourced from PubChem (CID 87614118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).