dimethyl(1-methylsulfanylethylidene)azanium

C5H12NS+ — CID 13452459

IUPACdimethyl(1-methylsulfanylethylidene)azanium
SMILESCSC(C)=[N+](C)C
InChIInChI=1S/C5H12NS/c1-5(7-4)6(2)3/h1-4H3/q+1
InChIKeyKMDLPZLTJHRDEG-UHFFFAOYSA-N
MW118.22 g/mol
LogP1.04
Rot. Bonds

About dimethyl(1-methylsulfanylethylidene)azanium

dimethyl(1-methylsulfanylethylidene)azanium (PubChem CID 13452459) has the molecular formula C5H12NS+ and a molecular weight of 118.22 g/mol. Its IUPAC name is dimethyl(1-methylsulfanylethylidene)azanium.

Molecular Properties

Compound Namedimethyl(1-methylsulfanylethylidene)azanium
PubChem CID13452459
Molecular FormulaC5H12NS+
Molecular Weight118.22 g/mol
Exact Mass118.07
IUPAC Namedimethyl(1-methylsulfanylethylidene)azanium
SMILESCSC(C)=[N+](C)C
InChIInChI=1S/C5H12NS/c1-5(7-4)6(2)3/h1-4H3/q+1
InChIKeyKMDLPZLTJHRDEG-UHFFFAOYSA-N
XLogP1.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(1-methylsulfanylethylidene)azanium?
The IUPAC name of dimethyl(1-methylsulfanylethylidene)azanium (CID 13452459) is dimethyl(1-methylsulfanylethylidene)azanium.
What is the SMILES notation for dimethyl(1-methylsulfanylethylidene)azanium?
The canonical SMILES for dimethyl(1-methylsulfanylethylidene)azanium is CSC(C)=[N+](C)C.
What is the InChIKey of dimethyl(1-methylsulfanylethylidene)azanium?
The InChIKey is KMDLPZLTJHRDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NS/c1-5(7-4)6(2)3/h1-4H3/q+1.
What are the key properties of dimethyl(1-methylsulfanylethylidene)azanium?
dimethyl(1-methylsulfanylethylidene)azanium has a molecular weight of 118.22 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-methylsulfanylethylidene)azanium is sourced from PubChem (CID 13452459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).