bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium

C7H13F6NO4S3 — CID 53316418

IUPACbis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium
SMILESCC[S+](C)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H13S.C2F6NO4S2/c1-4-6(3)5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H2,1-3H3;/q+1;-1
InChIKeyZDVNJIBUDKGGGM-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.33
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium

bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium (PubChem CID 53316418) has the molecular formula C7H13F6NO4S3 and a molecular weight of 385.37 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium
PubChem CID53316418
Molecular FormulaC7H13F6NO4S3
Molecular Weight385.37 g/mol
Exact Mass384.99
IUPAC Namebis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium
SMILESCC[S+](C)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H13S.C2F6NO4S2/c1-4-6(3)5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H2,1-3H3;/q+1;-1
InChIKeyZDVNJIBUDKGGGM-UHFFFAOYSA-N
XLogP2.33
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Triethylsulfonium bis(trifluoromethanesulfonyl)imide
CID 16211135
Diethyl(methyl)sulfanium;trifluoromethanesulfonate
CID 87357053
[Diethyl(methyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 89251534
1,1,1-trifluoro-N-(triethyl-lambda4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 129773255
Diethylmethylsulphonium bis(trifluoromethanesulfonyl)imide
CID 129830261
Tributylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716463
Dimethylethylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716288
Dimethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716307
Dimethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716326
Methylethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716327
Diethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716352
Methylethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716356

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium (CID 53316418) is bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium is CC[S+](C)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium?
The InChIKey is ZDVNJIBUDKGGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13S.C2F6NO4S2/c1-4-6(3)5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium?
bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium has a molecular weight of 385.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;diethyl(methyl)sulfanium is sourced from PubChem (CID 53316418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).