trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium

C7H18NS2+ — CID 163682516

IUPACtrimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium
SMILESC=S(S)CCC[N+](C)(C)C
InChIInChI=1S/C7H18NS2/c1-8(2,3)6-5-7-10(4)9/h9H,4-7H2,1-3H3/q+1
InChIKeyZPVKAKBZVJXKGT-UHFFFAOYSA-N
MW180.36 g/mol
LogP1.63
Rot. Bonds4

About trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium

trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium (PubChem CID 163682516) has the molecular formula C7H18NS2+ and a molecular weight of 180.36 g/mol. Its IUPAC name is trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium
PubChem CID163682516
Molecular FormulaC7H18NS2+
Molecular Weight180.36 g/mol
Exact Mass180.09
IUPAC Nametrimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium
SMILESC=S(S)CCC[N+](C)(C)C
InChIInChI=1S/C7H18NS2/c1-8(2,3)6-5-7-10(4)9/h9H,4-7H2,1-3H3/q+1
InChIKeyZPVKAKBZVJXKGT-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
2-ethylsulfinylethyl(trimethyl)azanium
CID 3026639
trimethyl(pentatriacontyl)azanium
CID 118223294
butyl(trimethyl)azanium;methanol
CID 159541051
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentyl)azanium iodide
CID 29431
trimethyl(nonatetracontyl)azanium
CID 118223275

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium?
The IUPAC name of trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium (CID 163682516) is trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium?
The canonical SMILES for trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium is C=S(S)CCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium?
The InChIKey is ZPVKAKBZVJXKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NS2/c1-8(2,3)6-5-7-10(4)9/h9H,4-7H2,1-3H3/q+1.
What are the key properties of trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium?
trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium has a molecular weight of 180.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[methylidene(sulfanyl)-λ4-sulfanyl]propyl]azanium is sourced from PubChem (CID 163682516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).