dimethyl-bis(sulfanyl)azanium

C2H8NS2+ — CID 154020184

IUPACdimethyl-bis(sulfanyl)azanium
SMILESC[N+](C)(S)S
InChIInChI=1S/C2H8NS2/c1-3(2,4)5/h4-5H,1-2H3/q+1
InChIKeyKSYOKLMUUZLFLZ-UHFFFAOYSA-N
MW110.23 g/mol
LogP0.75
Rot. Bonds

About dimethyl-bis(sulfanyl)azanium

dimethyl-bis(sulfanyl)azanium (PubChem CID 154020184) has the molecular formula C2H8NS2+ and a molecular weight of 110.23 g/mol. Its IUPAC name is dimethyl-bis(sulfanyl)azanium.

Molecular Properties

Compound Namedimethyl-bis(sulfanyl)azanium
PubChem CID154020184
Molecular FormulaC2H8NS2+
Molecular Weight110.23 g/mol
Exact Mass110.01
IUPAC Namedimethyl-bis(sulfanyl)azanium
SMILESC[N+](C)(S)S
InChIInChI=1S/C2H8NS2/c1-3(2,4)5/h4-5H,1-2H3/q+1
InChIKeyKSYOKLMUUZLFLZ-UHFFFAOYSA-N
XLogP0.75
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-bis(sulfanyl)azanium 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-bis(sulfanyl)azanium?
The IUPAC name of dimethyl-bis(sulfanyl)azanium (CID 154020184) is dimethyl-bis(sulfanyl)azanium.
What is the SMILES notation for dimethyl-bis(sulfanyl)azanium?
The canonical SMILES for dimethyl-bis(sulfanyl)azanium is C[N+](C)(S)S.
What is the InChIKey of dimethyl-bis(sulfanyl)azanium?
The InChIKey is KSYOKLMUUZLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NS2/c1-3(2,4)5/h4-5H,1-2H3/q+1.
What are the key properties of dimethyl-bis(sulfanyl)azanium?
dimethyl-bis(sulfanyl)azanium has a molecular weight of 110.23 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(sulfanyl)azanium is sourced from PubChem (CID 154020184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).