tetramethylazanium;trifluoromethanethiolate

C5H12F3NS — CID 11229088

IUPACtetramethylazanium;trifluoromethanethiolate
SMILESC[N+](C)(C)C.FC(F)(F)[S-]
InChIInChI=1S/C4H12N.CHF3S/c1-5(2,3)4;2-1(3,4)5/h1-4H3;5H/q+1;/p-1
InChIKeyLTONLRVDOIFITJ-UHFFFAOYSA-M
MW175.22 g/mol
LogP1.38
Rot. Bonds

About tetramethylazanium;trifluoromethanethiolate

tetramethylazanium;trifluoromethanethiolate (PubChem CID 11229088) has the molecular formula C5H12F3NS and a molecular weight of 175.22 g/mol. Its IUPAC name is tetramethylazanium;trifluoromethanethiolate.

Molecular Properties

Compound Nametetramethylazanium;trifluoromethanethiolate
PubChem CID11229088
Molecular FormulaC5H12F3NS
Molecular Weight175.22 g/mol
Exact Mass175.06
IUPAC Nametetramethylazanium;trifluoromethanethiolate
SMILESC[N+](C)(C)C.FC(F)(F)[S-]
InChIInChI=1S/C4H12N.CHF3S/c1-5(2,3)4;2-1(3,4)5/h1-4H3;5H/q+1;/p-1
InChIKeyLTONLRVDOIFITJ-UHFFFAOYSA-M
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;trifluoromethanethiolate?
The IUPAC name of tetramethylazanium;trifluoromethanethiolate (CID 11229088) is tetramethylazanium;trifluoromethanethiolate.
What is the SMILES notation for tetramethylazanium;trifluoromethanethiolate?
The canonical SMILES for tetramethylazanium;trifluoromethanethiolate is C[N+](C)(C)C.FC(F)(F)[S-].
What is the InChIKey of tetramethylazanium;trifluoromethanethiolate?
The InChIKey is LTONLRVDOIFITJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.CHF3S/c1-5(2,3)4;2-1(3,4)5/h1-4H3;5H/q+1;/p-1.
What are the key properties of tetramethylazanium;trifluoromethanethiolate?
tetramethylazanium;trifluoromethanethiolate has a molecular weight of 175.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;trifluoromethanethiolate is sourced from PubChem (CID 11229088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).