[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate

C8H17ClN2O4S — CID 13262639

IUPAC[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
SMILESCS/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H17N2S.ClHO4/c1-9(2)6-8(11-5)7-10(3)4;2-1(3,4)5/h6-7H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeySLPZTCJLNQWLGS-UHFFFAOYSA-M
MW272.75 g/mol
LogP-3.66
Rot. Bonds3

About [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate

[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 13262639) has the molecular formula C8H17ClN2O4S and a molecular weight of 272.75 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
PubChem CID13262639
Molecular FormulaC8H17ClN2O4S
Molecular Weight272.75 g/mol
Exact Mass272.06
IUPAC Name[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
SMILESCS/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H17N2S.ClHO4/c1-9(2)6-8(11-5)7-10(3)4;2-1(3,4)5/h6-7H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeySLPZTCJLNQWLGS-UHFFFAOYSA-M
XLogP-3.66
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 5-3.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 13262642
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 20027857
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 73675163
[3-(Dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 87667599
[3-(Dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium chloride
CID 141111902
CID 173397962
CID 173397962
[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium
CID 13262638
[3-(Dimethylamino)-2-methanesulfonylprop-2-en-1-ylidene]dimethylazanium perchlorate
CID 146155157
[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 146155158

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
The IUPAC name of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate (CID 13262639) is [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate is CS/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is SLPZTCJLNQWLGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17N2S.ClHO4/c1-9(2)6-8(11-5)7-10(3)4;2-1(3,4)5/h6-7H,1-5H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 272.75 g/mol, XLogP of -3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 13262639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).