Basic information
- CAS
748793-45-5- Standard SMILES
Cc1cc(Cl)ccc1OCc1n[nH]c(=S)n1C1CCCCC1- InChIKey
LVMPLXRDTPIULA-UHFFFAOYSA-N- Molecular formula
- C16H20ClN3OS
- Average molar mass
- 337.9 g/mol
- Monoisotopic mass
- 337.1015611
Names & identifiers
- Preferred name
- 5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
Names & synonyms
5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol748793-45-5MLS000536073SMR0001554393-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione3-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione5-[(4-Chloro-2-methylphenoxy)methyl]-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thioneCHEMBL1562044BDBM67865cid_2383099HMS2351I15AKOS000116215
Show more names
CS-0219250EN300-03515Z568538353-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
Database identifiers
- CAS
748793-45-5- PubChem CID
- 2383099
- ChEMBL
CHEMBL1562044
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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