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

C6H13N3S — CID 15001252

IUPAC1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione
SMILESCC1N(C)C(=S)N(C)N1C
InChIInChI=1S/C6H13N3S/c1-5-7(2)6(10)9(4)8(5)3/h5H,1-4H3
InChIKeyRTZBJUGYMISAAV-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.34
Rot. Bonds

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

1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione (PubChem CID 15001252) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione
PubChem CID15001252
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione
SMILESCC1N(C)C(=S)N(C)N1C
InChIInChI=1S/C6H13N3S/c1-5-7(2)6(10)9(4)8(5)3/h5H,1-4H3
InChIKeyRTZBJUGYMISAAV-UHFFFAOYSA-N
XLogP0.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-Tetramethyl-1,2,4-triazolidine
CID 18338490
1-Amino-3-methylimidazolidine-2-thione
CID 20622949
CID 59923857
CID 59923857
1-Ethyl-2,4-dimethyl-1,2,4-triazolidine
CID 123979649
4-Alumanyl-1-ethyl-2-methyl-1,2,4-triazolidine-3,5-dithione
CID 147469397
2,3,4-Trimethyl-1-sulfanyl-1,2,4-triazolidine
CID 173289067

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione (CID 15001252) is 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione is CC1N(C)C(=S)N(C)N1C.
What is the InChIKey of 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione?
The InChIKey is RTZBJUGYMISAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c1-5-7(2)6(10)9(4)8(5)3/h5H,1-4H3.
What are the key properties of 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione?
1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione has a molecular weight of 159.26 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 15001252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).