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

C10H21ClN2O4S — CID 13262642

IUPAC[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
SMILESCCCS/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H21N2S.ClHO4/c1-6-7-13-10(8-11(2)3)9-12(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyBNCFIDYDFMHNIC-UHFFFAOYSA-M
MW300.81 g/mol
LogP-2.88
Rot. Bonds5

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

[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 13262642) has the molecular formula C10H21ClN2O4S and a molecular weight of 300.81 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
PubChem CID13262642
Molecular FormulaC10H21ClN2O4S
Molecular Weight300.81 g/mol
Exact Mass300.09
IUPAC Name[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
SMILESCCCS/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H21N2S.ClHO4/c1-6-7-13-10(8-11(2)3)9-12(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyBNCFIDYDFMHNIC-UHFFFAOYSA-M
XLogP-2.88
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 5-2.88
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-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 13262639
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 13262653
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 20027857
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 20027860
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 53955183
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 73675163
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 73675165
CID 173397962
CID 173397962
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 13262641
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 20027858

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
The IUPAC name of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate (CID 13262642) is [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate is CCCS/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is BNCFIDYDFMHNIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N2S.ClHO4/c1-6-7-13-10(8-11(2)3)9-12(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate?
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 300.81 g/mol, XLogP of -2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 13262642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).