Basic information
- CAS
302901-16-2- Standard SMILES
Cc1ccc(OCc2n[nH]c(=S)n2-c2ccccc2)c2c1CCC2- InChIKey
IYCMJRAWWUBNEK-UHFFFAOYSA-N- Molecular formula
- C19H19N3OS
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.12488341
Names & identifiers
- Preferred name
- 3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
- IUPAC
- 3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
- English name
- 5-[[(7-METHYL-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C19H19N3OS
- Molecular weight
- 337.44
Names & synonyms
302901-16-23-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-phenyl-1H-1,2,4-triazole-5-thione5-[[(7-METHYL-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL5-(((7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol5-{[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol5-([(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl)-4-phenyl-4H-1,2,4-triazole-3-thiolMaybridge1_006648SCHEMBL3744019HMS560G04DTXSID70371658CCG-2474115-{[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
5-(7-METHYLINDAN-4-YLOXYMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL5-[(7-Methylindan-4-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol5-{[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thi3H-1,2,4-Triazole-3-thione, 5-[[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]methyl]-2,4-dihydro-4-phenyl-
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Melting point
- 176 · 176-178
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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