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Basic information
- CAS
339009-40-4- Standard SMILES
Cn1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)n1cncn1- InChIKey
BCRJQIBGHMVEMV-UHFFFAOYSA-N- Molecular formula
- C15H17ClN6S
- Average molar mass
- 348.863 g/mol
- Monoisotopic mass
- 348.09239322
Names & identifiers
- Preferred name
- 1-[1-[5-[[(4-Chlorophenyl)methyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]-1-methylethyl]-1H-1,2,4-triazole
- IUPAC
- 1-[2-(5-{[(4-Chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)propan-2-yl]-1H-1,2,4-triazole
- English name
- 1-(1-(5-[(4-CHLOROBENZYL)SULFANYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYLETHYL)-1H-1,2,4-TRIAZOLE
- Molecular formula
- C15H17ClN6S
- Molecular weight
- 348.85
Names & synonyms
4-CHLOROBENZYL 4-METHYL-5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YL SULFIDE1-(1-(5-[(4-CHLOROBENZYL)SULFANYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-1-METHYLETHYL)-1H-1,2,4-TRIAZOLE3-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazole1H-1,2,4-Triazole, 1-[1-[5-[[(4-chlorophenyl)methyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]-1-methylethyl]-
Database identifiers
- CAS
339009-40-4- PubChem CID
- 1483068
- DTXSID
DTXSID501112091
Properties
Physicochemical properties
- Boiling point
- 565.1 · 565.1±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 2.18 · 2.18±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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