potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione

C5H12KN3S — CID 174468490

IUPACpotassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione
SMILESCC1N(C)NC(=S)N1C.[H-].[K+]
InChIInChI=1S/C5H11N3S.K.H/c1-4-7(2)5(9)6-8(4)3;;/h4H,1-3H3,(H,6,9);;/q;+1;-1
InChIKeyOVBJQKACHGTCIU-UHFFFAOYSA-N
MW185.34 g/mol
LogP-2.88
Rot. Bonds

About potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione

potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione (PubChem CID 174468490) has the molecular formula C5H12KN3S and a molecular weight of 185.34 g/mol. Its IUPAC name is potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Namepotassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione
PubChem CID174468490
Molecular FormulaC5H12KN3S
Molecular Weight185.34 g/mol
Exact Mass185.04
IUPAC Namepotassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione
SMILESCC1N(C)NC(=S)N1C.[H-].[K+]
InChIInChI=1S/C5H11N3S.K.H/c1-4-7(2)5(9)6-8(4)3;;/h4H,1-3H3,(H,6,9);;/q;+1;-1
InChIKeyOVBJQKACHGTCIU-UHFFFAOYSA-N
XLogP-2.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
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;1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
The IUPAC name of potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione (CID 174468490) is potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione is CC1N(C)NC(=S)N1C.[H-].[K+].
What is the InChIKey of potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
The InChIKey is OVBJQKACHGTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S.K.H/c1-4-7(2)5(9)6-8(4)3;;/h4H,1-3H3,(H,6,9);;/q;+1;-1.
What are the key properties of potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione has a molecular weight of 185.34 g/mol, XLogP of -2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 174468490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).