1-methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine
Basic information
- CAS
51108-35-1- Standard SMILES
CSc1nc(N)n(C)n1- InChIKey
IPNJAXGQPBLGQA-UHFFFAOYSA-N- Molecular formula
- C4H8N4S
- Average molar mass
- 144.2 g/mol
- Monoisotopic mass
- 144.04696745
Names & identifiers
- Preferred name
- 1-methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine
- IUPAC
- 2-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine
- English name
- 1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine
- Molecular formula
- C4H8N4S
- Molecular weight
- 144.2
Names & synonyms
51108-35-11-methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine2-methyl-5-methylsulfanyl-1,2,4-triazol-3-amineNSC207099SCHEMBL32090121-methyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-amineDTXSID60308675MFCD01571131AKOS006221880NSC 207099NSC-2070992-methyl-5-methylsulfanyl-2h-[1,2,4]triazol-3-ylamine
Show more names
1H-1,2,4-Triazol-5-amine, 1-methyl-3-(methylthio)-1H-1,2,4-Triazol-5-amine,1-methyl-3-(methylthio)-(9CI)1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine, Tech.
Database identifiers
- CAS
51108-35-1- PubChem CID
- 307980
- DTXSID
DTXSID60308675
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.6
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 110 · 110-111 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 354.1 · 354.1±25.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 3.28 · 3.28±0.50(Predicted)
- Comptox DTXSID
- 60308675 · DTXSID60308675
- HS Code
- 2933990099 · 2933990099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933990099
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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