4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-
Basic information
- CAS
57295-61-1- Standard SMILES
COc1ccc(-c2nnc(SC)n2C)cc1- InChIKey
JJNVTOZYUABEKT-UHFFFAOYSA-N- Molecular formula
- C11H13N3OS
- Average molar mass
- 235.31 g/mol
- Monoisotopic mass
- 235.07793322
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-
- IUPAC
- 3-(4-methoxyphenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
Names & synonyms
57295-61-13-(4-Methoxyphenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazoleBRN 07928814H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-DTXSID902059065-26-03-00478 (Beilstein Handbook Reference)RefChem:296929DTXCID801283973-(4-methoxyphenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazoleMLS000074469CHEMBL25090SCHEMBL10915111
Show more names
HMS2464M193-(4-Methoxy-phenyl)-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazoleAKOS000667595SMR000007957SR-01000330045SR-01000330045-1
Database identifiers
- CAS
57295-61-1- PubChem CID
- 647629
- DTXSID
DTXSID90205906- ChEMBL
CHEMBL25090- Nikkaji
- J577.056D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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