ethylsulfanylmethylidene(dimethyl)azanium

C5H12NS+ — CID 13403330

IUPACethylsulfanylmethylidene(dimethyl)azanium
SMILESCCSC=[N+](C)C
InChIInChI=1S/C5H12NS/c1-4-7-5-6(2)3/h5H,4H2,1-3H3/q+1
InChIKeyQZMVFMOCFIRJGA-UHFFFAOYSA-N
MW118.22 g/mol
LogP1.04
Rot. Bonds2

About ethylsulfanylmethylidene(dimethyl)azanium

ethylsulfanylmethylidene(dimethyl)azanium (PubChem CID 13403330) has the molecular formula C5H12NS+ and a molecular weight of 118.22 g/mol. Its IUPAC name is ethylsulfanylmethylidene(dimethyl)azanium.

Molecular Properties

Compound Nameethylsulfanylmethylidene(dimethyl)azanium
PubChem CID13403330
Molecular FormulaC5H12NS+
Molecular Weight118.22 g/mol
Exact Mass118.07
IUPAC Nameethylsulfanylmethylidene(dimethyl)azanium
SMILESCCSC=[N+](C)C
InChIInChI=1S/C5H12NS/c1-4-7-5-6(2)3/h5H,4H2,1-3H3/q+1
InChIKeyQZMVFMOCFIRJGA-UHFFFAOYSA-N
XLogP1.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 ethylsulfanylmethylidene(dimethyl)azanium?
The IUPAC name of ethylsulfanylmethylidene(dimethyl)azanium (CID 13403330) is ethylsulfanylmethylidene(dimethyl)azanium.
What is the SMILES notation for ethylsulfanylmethylidene(dimethyl)azanium?
The canonical SMILES for ethylsulfanylmethylidene(dimethyl)azanium is CCSC=[N+](C)C.
What is the InChIKey of ethylsulfanylmethylidene(dimethyl)azanium?
The InChIKey is QZMVFMOCFIRJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NS/c1-4-7-5-6(2)3/h5H,4H2,1-3H3/q+1.
What are the key properties of ethylsulfanylmethylidene(dimethyl)azanium?
ethylsulfanylmethylidene(dimethyl)azanium has a molecular weight of 118.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethylidene(dimethyl)azanium is sourced from PubChem (CID 13403330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).