ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane

C9H29NS+2 — CID 160606720

IUPACditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane
SMILESC[N+](C)(C)C.C[S+](C)C.[3H]C.[3H]C[3H]
InChIInChI=1S/C4H12N.C3H9S.2CH4/c1-5(2,3)4;1-4(2)3;;/h1-4H3;1-3H3;2*1H4/q2*+1;;/i;;1T2;1T
InChIKeyREYSYDFVUFIJQG-WEWGLXFWSA-N
MW189.43 g/mol
LogP2.09
Rot. Bonds

About ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane

ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane (PubChem CID 160606720) has the molecular formula C9H29NS+2 and a molecular weight of 189.43 g/mol. Its IUPAC name is ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane.

Molecular Properties

Compound Nameditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane
PubChem CID160606720
Molecular FormulaC9H29NS+2
Molecular Weight189.43 g/mol
Exact Mass189.23
IUPAC Nameditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane
SMILESC[N+](C)(C)C.C[S+](C)C.[3H]C.[3H]C[3H]
InChIInChI=1S/C4H12N.C3H9S.2CH4/c1-5(2,3)4;1-4(2)3;;/h1-4H3;1-3H3;2*1H4/q2*+1;;/i;;1T2;1T
InChIKeyREYSYDFVUFIJQG-WEWGLXFWSA-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 ≤ 500189.43
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 ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane?
The IUPAC name of ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane (CID 160606720) is ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane.
What is the SMILES notation for ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane?
The canonical SMILES for ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane is C[N+](C)(C)C.C[S+](C)C.[3H]C.[3H]C[3H].
What is the InChIKey of ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane?
The InChIKey is REYSYDFVUFIJQG-WEWGLXFWSA-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;;/i;;1T2;1T.
What are the key properties of ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane?
ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane has a molecular weight of 189.43 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 ditritiomethane;tetramethylazanium;trimethylsulfanium;tritiomethane is sourced from PubChem (CID 160606720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).