Basic information
- CAS
385376-08-9- Standard SMILES
CC(C)(C)c1ccc(CSc2nnnn2-c2ccccc2F)cc1- InChIKey
WMIZTUQKVAYYJT-UHFFFAOYSA-N- Molecular formula
- C18H19FN4S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.13144596
Names & identifiers
- Preferred name
- 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole
- IUPAC
- 5-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole
Names & synonyms
385376-08-95-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]-1-(2-fluorophenyl)-1H-tetrazole5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazoleRefChem:299015Tetrazole, 1-(2-fluorophenyl)-5-[4-(1,1-dimethylethyl)benzylthio]-WMIZTUQKVAYYJT-UHFFFAOYSA-NDTXSID5011405055-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazoleAKOS024374043ST51013321AN-465/143340094-tert-butylbenzyl 1-(2-fluorophenyl)-1H-tetraazol-5-yl sulfide
Show more names
5-[(4-tert-Butylbenzyl)sulfanyl]-1-(2-fluorophenyl)-1H-tetraazole #5-{[(4-tert-Butylphenyl)methyl]sulfanyl}-1-(2-fluorophenyl)-1H-tetrazole5-{[4-(tert-butyl)phenyl]methylthio}-1-(2-fluorophenyl)-1,2,3,4-tetraazole
Database identifiers
- CAS
385376-08-9- PubChem CID
- 590141
- DTXSID
DTXSID501140505
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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