methane;tetramethylazanium;trimethylsulfanium

C9H29NS+2 — CID 160606719

IUPACmethane;tetramethylazanium;trimethylsulfanium
SMILESC.C.C[N+](C)(C)C.C[S+](C)C
InChIInChI=1S/C4H12N.C3H9S.2CH4/c1-5(2,3)4;1-4(2)3;;/h1-4H3;1-3H3;2*1H4/q2*+1;;
InChIKeyREYSYDFVUFIJQG-UHFFFAOYSA-N
MW183.41 g/mol
LogP2.09
Rot. Bonds

About methane;tetramethylazanium;trimethylsulfanium

methane;tetramethylazanium;trimethylsulfanium (PubChem CID 160606719) has the molecular formula C9H29NS+2 and a molecular weight of 183.41 g/mol. Its IUPAC name is methane;tetramethylazanium;trimethylsulfanium.

Molecular Properties

Compound Namemethane;tetramethylazanium;trimethylsulfanium
PubChem CID160606719
Molecular FormulaC9H29NS+2
Molecular Weight183.41 g/mol
Exact Mass183.20
IUPAC Namemethane;tetramethylazanium;trimethylsulfanium
SMILESC.C.C[N+](C)(C)C.C[S+](C)C
InChIInChI=1S/C4H12N.C3H9S.2CH4/c1-5(2,3)4;1-4(2)3;;/h1-4H3;1-3H3;2*1H4/q2*+1;;
InChIKeyREYSYDFVUFIJQG-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylaminomethyl sulfide
CID 225317
N,N-dimethylmethanamine;methylsulfanylmethane
CID 54454543
Trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium
CID 58301030
N,N-dimethyl-1-(methyl-lambda4-sulfanylidyne)methanamine
CID 101021059
N,N-dimethyl-1-(trimethyl-lambda4-sulfanyl)methanamine
CID 123899353
N-methyl-1-(trimethyl-lambda4-sulfanyl)-N-[(trimethyl-lambda4-sulfanyl)methyl]methanamine
CID 138611978
N,N-dimethyl-1-(tetramethyl-lambda6-sulfanylidene)methanamine
CID 152056121
Dimethyliodanium;tetramethylazanium;trimethylsulfanium
CID 157484876
N,N-dimethylmethanamine;methane;methylsulfanylmethane;propane
CID 158029594
Methylsulfanylmethane;tetramethylazanium
CID 159225121
Tetramethylazanium;trimethylsulfanium
CID 159450783
Tris[(dimethylamino)methyl]sulfanium
CID 160317801

Frequently Asked Questions

What is the IUPAC name of methane;tetramethylazanium;trimethylsulfanium?
The IUPAC name of methane;tetramethylazanium;trimethylsulfanium (CID 160606719) is methane;tetramethylazanium;trimethylsulfanium.
What is the SMILES notation for methane;tetramethylazanium;trimethylsulfanium?
The canonical SMILES for methane;tetramethylazanium;trimethylsulfanium is C.C.C[N+](C)(C)C.C[S+](C)C.
What is the InChIKey of methane;tetramethylazanium;trimethylsulfanium?
The InChIKey is REYSYDFVUFIJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C3H9S.2CH4/c1-5(2,3)4;1-4(2)3;;/h1-4H3;1-3H3;2*1H4/q2*+1;;.
What are the key properties of methane;tetramethylazanium;trimethylsulfanium?
methane;tetramethylazanium;trimethylsulfanium has a molecular weight of 183.41 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tetramethylazanium;trimethylsulfanium is sourced from PubChem (CID 160606719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).