1,4,5-trimethyl-1,2,4-triazolidine-3-thione

C5H11N3S — CID 20615651

IUPAC1,4,5-trimethyl-1,2,4-triazolidine-3-thione
SMILESCC1N(C)NC(=S)N1C
InChIInChI=1S/C5H11N3S/c1-4-7(2)5(9)6-8(4)3/h4H,1-3H3,(H,6,9)
InChIKeyJWUGACAHUXQAPO-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.00
Rot. Bonds

About 1,4,5-trimethyl-1,2,4-triazolidine-3-thione

1,4,5-trimethyl-1,2,4-triazolidine-3-thione (PubChem CID 20615651) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 1,4,5-trimethyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name1,4,5-trimethyl-1,2,4-triazolidine-3-thione
PubChem CID20615651
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name1,4,5-trimethyl-1,2,4-triazolidine-3-thione
SMILESCC1N(C)NC(=S)N1C
InChIInChI=1S/C5H11N3S/c1-4-7(2)5(9)6-8(4)3/h4H,1-3H3,(H,6,9)
InChIKeyJWUGACAHUXQAPO-UHFFFAOYSA-N
XLogP-0.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-5-(trifluoromethyl)-1,2,4-triazolidine-3-thione
CID 153225613
4-ethyl-4H-1,2,4-triazole-3,5-dithiol
CID 12421608
2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione
CID 4997175
1,4,5-Trimethyl-1,2,4-triazolidine-3-thiolate
CID 18341685
1,4,5-Trimethyl-1,2,4-triazolidine-3-thiol
CID 18341686
1-Amino-3-methylimidazolidine-2-thione
CID 20622949
4-Ethyl-2,5,5-trimethyl-1,2,4-triazolidine-3-thione
CID 21762929
1-Ethyl-1,2,4-triazolidine-3,5-dithione
CID 23330707
4-Ethyl-1,5-dimethyl-1,2,4-triazolidine-3-thiolate
CID 23394807
2-Amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione
CID 57227309
1,4,5-Trimethyl-1,2,4-triazolidin-1-ium-3-thione
CID 59117908
2-Propyl-1,2,4-triazolidine-3-thione
CID 141008201

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 1,4,5-trimethyl-1,2,4-triazolidine-3-thione (CID 20615651) is 1,4,5-trimethyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 1,4,5-trimethyl-1,2,4-triazolidine-3-thione is CC1N(C)NC(=S)N1C.
What is the InChIKey of 1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
The InChIKey is JWUGACAHUXQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-4-7(2)5(9)6-8(4)3/h4H,1-3H3,(H,6,9).
What are the key properties of 1,4,5-trimethyl-1,2,4-triazolidine-3-thione?
1,4,5-trimethyl-1,2,4-triazolidine-3-thione has a molecular weight of 145.23 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 20615651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).