[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium

C8H19N2S+ — CID 59855519

IUPAC[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium
SMILESCCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-6-7-11-8(9(2)3)10(4)5/h6-7H2,1-5H3/q+1
InChIKeyVXGSOZWIBIEVRG-UHFFFAOYSA-N
MW175.32 g/mol
LogP1.32
Rot. Bonds2

About [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium

[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium (PubChem CID 59855519) has the molecular formula C8H19N2S+ and a molecular weight of 175.32 g/mol. Its IUPAC name is [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium
PubChem CID59855519
Molecular FormulaC8H19N2S+
Molecular Weight175.32 g/mol
Exact Mass175.13
IUPAC Name[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium
SMILESCCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-6-7-11-8(9(2)3)10(4)5/h6-7H2,1-5H3/q+1
InChIKeyVXGSOZWIBIEVRG-UHFFFAOYSA-N
XLogP1.32
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 51.32
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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Related Compounds

[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium iodide
CID 87471269
[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium
CID 87805883
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159351966
[dimethylamino(octylsulfanyl)methylidene]-dimethylazanium;ethyl sulfate
CID 87472351
S-propyl N,N-dimethylcarbamothioate
CID 13228568
[diethylamino(propylsulfanyl)methylidene]-dimethylazanium;methyl sulfate
CID 87470655
[dimethylamino-(2-methoxy-2-oxoethyl)sulfanylmethylidene]-dimethylazanium bromide
CID 134893965
bis(propylsulfanyl)methanone
CID 536266
propyl N-methyl-N-sulfanylcarbamodithioate
CID 174421496
[dimethylamino(methylsulfanyl)methylidene]-dimethylazanium;ethyl sulfate
CID 86645099
CID 50923072
CID 50923072
1-prop-1-en-2-ylsulfanylpropane
CID 118361917

Frequently Asked Questions

What is the IUPAC name of [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium (CID 59855519) is [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium is CCCSC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is VXGSOZWIBIEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2S/c1-6-7-11-8(9(2)3)10(4)5/h6-7H2,1-5H3/q+1.
What are the key properties of [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium?
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 175.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(propylsulfanyl)methylidene]-dimethylazanium is sourced from PubChem (CID 59855519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).