2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine

C5H13N3S — CID 173289067

IUPAC2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine
SMILESCC1N(C)CN(S)N1C
InChIInChI=1S/C5H13N3S/c1-5-6(2)4-8(9)7(5)3/h5,9H,4H2,1-3H3
InChIKeyBDSUWKRGZQWWSG-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.23
Rot. Bonds

About 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine

2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine (PubChem CID 173289067) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine.

Molecular Properties

Compound Name2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine
PubChem CID173289067
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine
SMILESCC1N(C)CN(S)N1C
InChIInChI=1S/C5H13N3S/c1-5-6(2)4-8(9)7(5)3/h5,9H,4H2,1-3H3
InChIKeyBDSUWKRGZQWWSG-UHFFFAOYSA-N
XLogP0.23
TPSA9.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4,5-Tetramethyl-1,2,4-triazolidine-3-thione
CID 15001252
1,2,3,4-Tetramethyl-1,2,4-triazolidine
CID 18338490
1,2,3,4,5-Pentamethyl-1,2,4-triazolidine
CID 59881570
CID 59923857
CID 59923857
1-Ethyl-2,4-dimethyl-1,2,4-triazolidine
CID 123979649
N,N,3-trimethylimidazolidin-1-amine
CID 155150561
4-Ethyl-1,2-dimethyl-1,2,4-triazolidine
CID 101586139

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine?
The IUPAC name of 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine (CID 173289067) is 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine.
What is the SMILES notation for 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine?
The canonical SMILES for 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine is CC1N(C)CN(S)N1C.
What is the InChIKey of 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine?
The InChIKey is BDSUWKRGZQWWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-5-6(2)4-8(9)7(5)3/h5,9H,4H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine?
2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine has a molecular weight of 147.25 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-sulfanyl-1,2,4-triazolidine is sourced from PubChem (CID 173289067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).