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

C10H21IN2S — CID 13262653

IUPAC[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
SMILESCCCS/C(C=[N+](C)C)=C\N(C)C.[I-]
InChIInChI=1S/C10H21N2S.HI/c1-6-7-13-10(8-11(2)3)9-12(4)5;/h8-9H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyDVKCZYDUAWVMGW-UHFFFAOYSA-M
MW328.26 g/mol
LogP-1.12
Rot. Bonds5

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

[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide (PubChem CID 13262653) has the molecular formula C10H21IN2S and a molecular weight of 328.26 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
PubChem CID13262653
Molecular FormulaC10H21IN2S
Molecular Weight328.26 g/mol
Exact Mass328.05
IUPAC Name[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
SMILESCCCS/C(C=[N+](C)C)=C\N(C)C.[I-]
InChIInChI=1S/C10H21N2S.HI/c1-6-7-13-10(8-11(2)3)9-12(4)5;/h8-9H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyDVKCZYDUAWVMGW-UHFFFAOYSA-M
XLogP-1.12
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide?
The IUPAC name of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide (CID 13262653) is [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide is CCCS/C(C=[N+](C)C)=C\N(C)C.[I-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide?
The InChIKey is DVKCZYDUAWVMGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N2S.HI/c1-6-7-13-10(8-11(2)3)9-12(4)5;/h8-9H,6-7H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide?
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide has a molecular weight of 328.26 g/mol, XLogP of -1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide is sourced from PubChem (CID 13262653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).