methyl-methylidene-(methyliminomethylsulfanyl)azanium

C4H9N2S+ — CID 88935181

IUPACmethyl-methylidene-(methyliminomethylsulfanyl)azanium
SMILESC=[N+](C)S/C=N/C
InChIInChI=1S/C4H9N2S/c1-5-4-7-6(2)3/h4H,2H2,1,3H3/q+1/b5-4+
InChIKeyOZBDCZDILJZIRW-SNAWJCMRSA-N
MW117.20 g/mol
LogP0.64
Rot. Bonds2

About methyl-methylidene-(methyliminomethylsulfanyl)azanium

methyl-methylidene-(methyliminomethylsulfanyl)azanium (PubChem CID 88935181) has the molecular formula C4H9N2S+ and a molecular weight of 117.20 g/mol. Its IUPAC name is methyl-methylidene-(methyliminomethylsulfanyl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(methyliminomethylsulfanyl)azanium
PubChem CID88935181
Molecular FormulaC4H9N2S+
Molecular Weight117.20 g/mol
Exact Mass117.05
IUPAC Namemethyl-methylidene-(methyliminomethylsulfanyl)azanium
SMILESC=[N+](C)S/C=N/C
InChIInChI=1S/C4H9N2S/c1-5-4-7-6(2)3/h4H,2H2,1,3H3/q+1/b5-4+
InChIKeyOZBDCZDILJZIRW-SNAWJCMRSA-N
XLogP0.64
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl-methylidene-(methyliminomethylsulfanyl)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 methyl-methylidene-(methyliminomethylsulfanyl)azanium?
The IUPAC name of methyl-methylidene-(methyliminomethylsulfanyl)azanium (CID 88935181) is methyl-methylidene-(methyliminomethylsulfanyl)azanium.
What is the SMILES notation for methyl-methylidene-(methyliminomethylsulfanyl)azanium?
The canonical SMILES for methyl-methylidene-(methyliminomethylsulfanyl)azanium is C=[N+](C)S/C=N/C.
What is the InChIKey of methyl-methylidene-(methyliminomethylsulfanyl)azanium?
The InChIKey is OZBDCZDILJZIRW-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H9N2S/c1-5-4-7-6(2)3/h4H,2H2,1,3H3/q+1/b5-4+.
What are the key properties of methyl-methylidene-(methyliminomethylsulfanyl)azanium?
methyl-methylidene-(methyliminomethylsulfanyl)azanium has a molecular weight of 117.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(methyliminomethylsulfanyl)azanium is sourced from PubChem (CID 88935181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).