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

C6H13N3S — CID 4997175

IUPAC2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione
SMILESCN1NC(C)(C)N(C)C1=S
InChIInChI=1S/C6H13N3S/c1-6(2)7-9(4)5(10)8(6)3/h7H,1-4H3
InChIKeyDBKIGYJIJSFQDX-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.39
Rot. Bonds

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

2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione (PubChem CID 4997175) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione
PubChem CID4997175
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione
SMILESCN1NC(C)(C)N(C)C1=S
InChIInChI=1S/C6H13N3S/c1-6(2)7-9(4)5(10)8(6)3/h7H,1-4H3
InChIKeyDBKIGYJIJSFQDX-UHFFFAOYSA-N
XLogP0.39
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.39
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

1,2,4-Triazolidine-3-thione, 2,5,5-trimethyl-
CID 3042289
4-(Dimethylamino)-2,5,5-trimethyl-1,2,4-triazolidine-3-thione
CID 15647629
1,4,5-Trimethyl-1,2,4-triazolidine-3-thione
CID 20615651
4-Ethyl-2,5,5-trimethyl-1,2,4-triazolidine-3-thione
CID 21762929
Potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione
CID 174468490
4-Ethyl-1-methyl-1,2,4-triazolidine-3-thione
CID 15475917
2-Ethyl-4,5,5-trimethyl-1,2,4-triazolidine-3-thione
CID 21762930
5-Ethyl-2,4,5-trimethyl-1,2,4-triazolidine-3-thione
CID 21762932
2,4,5,5-Tetramethyl-1,2,4-triazolidin-1-ium-3-thione
CID 21762934
4-Ethyl-2,5,5-trimethyl-1,2,4-triazolidin-1-ium-3-thione
CID 21762935
5-Ethyl-2,4,5-trimethyl-1,2,4-triazolidin-1-ium-3-thione
CID 21762937
1-Methyl-4-propyl-1,2,4-triazolidine-3-thione
CID 23394709

Frequently Asked Questions

What is the IUPAC name of 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione (CID 4997175) is 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione is CN1NC(C)(C)N(C)C1=S.
What is the InChIKey of 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione?
The InChIKey is DBKIGYJIJSFQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c1-6(2)7-9(4)5(10)8(6)3/h7H,1-4H3.
What are the key properties of 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione?
2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione has a molecular weight of 159.26 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 4997175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).