potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione

C4H7F3KN3S — CID 173129835

IUPACpotassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione
SMILESCN1C(=S)NNC1C(F)(F)F.[H-].[K+]
InChIInChI=1S/C4H6F3N3S.K.H/c1-10-2(4(5,6)7)8-9-3(10)11;;/h2,8H,1H3,(H,9,11);;/q;+1;-1
InChIKeyQUMQSJXAJYHQOR-UHFFFAOYSA-N
MW225.28 g/mol
LogP-2.68
Rot. Bonds

About potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione

potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione (PubChem CID 173129835) has the molecular formula C4H7F3KN3S and a molecular weight of 225.28 g/mol. Its IUPAC name is potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Namepotassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione
PubChem CID173129835
Molecular FormulaC4H7F3KN3S
Molecular Weight225.28 g/mol
Exact Mass224.99
IUPAC Namepotassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione
SMILESCN1C(=S)NNC1C(F)(F)F.[H-].[K+]
InChIInChI=1S/C4H6F3N3S.K.H/c1-10-2(4(5,6)7)8-9-3(10)11;;/h2,8H,1H3,(H,9,11);;/q;+1;-1
InChIKeyQUMQSJXAJYHQOR-UHFFFAOYSA-N
XLogP-2.68
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione?
The IUPAC name of potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione (CID 173129835) is potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione.
What is the SMILES notation for potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione?
The canonical SMILES for potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione is CN1C(=S)NNC1C(F)(F)F.[H-].[K+].
What is the InChIKey of potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione?
The InChIKey is QUMQSJXAJYHQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N3S.K.H/c1-10-2(4(5,6)7)8-9-3(10)11;;/h2,8H,1H3,(H,9,11);;/q;+1;-1.
What are the key properties of potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione?
potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione has a molecular weight of 225.28 g/mol, XLogP of -2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;4-methyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 173129835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).