1,4-dimethyl-1,2,4-triazolidine-3-thione

C4H9N3S — CID 23394699

IUPAC1,4-dimethyl-1,2,4-triazolidine-3-thione
SMILESCN1CN(C)C(=S)N1
InChIInChI=1S/C4H9N3S/c1-6-3-7(2)5-4(6)8/h3H2,1-2H3,(H,5,8)
InChIKeySUBHFZRADDOIDR-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.39
Rot. Bonds

About 1,4-dimethyl-1,2,4-triazolidine-3-thione

1,4-dimethyl-1,2,4-triazolidine-3-thione (PubChem CID 23394699) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is 1,4-dimethyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name1,4-dimethyl-1,2,4-triazolidine-3-thione
PubChem CID23394699
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name1,4-dimethyl-1,2,4-triazolidine-3-thione
SMILESCN1CN(C)C(=S)N1
InChIInChI=1S/C4H9N3S/c1-6-3-7(2)5-4(6)8/h3H2,1-2H3,(H,5,8)
InChIKeySUBHFZRADDOIDR-UHFFFAOYSA-N
XLogP-0.39
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.39
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

(1,4-dimethyl-1,2,4-triazolidin-3-ylidene)platinum
CID 87351770
1-methylimidazolidine-2-thione
CID 2733224
cyclobutanamine;(1,4-dimethyl-1,2,4-triazolidin-3-ylidene)platinum
CID 159592264
4,5-dichloro-1,3-dimethyl-2H-imidazole
CID 21304542
1,4-dimethylpiperazine-2,5-dithione
CID 15147583
1,3,4,6-tetramethyl-2,5-dihydroimidazo[4,5-d]imidazole
CID 102582139
ethane;1-methyl-2-methylideneazetidine
CID 166532028
1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
CID 142135855
1-methylpiperazine-2,5-dithione
CID 45088649
(5S)-2-methyl-5-phenyl-4,5-dihydro-1H-2,4-benzodiazepine-3-thione
CID 129363287
ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 156708920
1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione
CID 171384862

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 1,4-dimethyl-1,2,4-triazolidine-3-thione (CID 23394699) is 1,4-dimethyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 1,4-dimethyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 1,4-dimethyl-1,2,4-triazolidine-3-thione is CN1CN(C)C(=S)N1.
What is the InChIKey of 1,4-dimethyl-1,2,4-triazolidine-3-thione?
The InChIKey is SUBHFZRADDOIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c1-6-3-7(2)5-4(6)8/h3H2,1-2H3,(H,5,8).
What are the key properties of 1,4-dimethyl-1,2,4-triazolidine-3-thione?
1,4-dimethyl-1,2,4-triazolidine-3-thione has a molecular weight of 131.20 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 1,4-dimethyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 23394699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).