3-[5-[(2-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
Basic information
- CAS
797799-19-0- Standard SMILES
Oc1cccc(-n2nnnc2SCc2ccccc2F)c1- InChIKey
ZZNVPRZEYHMDHX-UHFFFAOYSA-N- Molecular formula
- C14H11FN4OS
- Average molar mass
- 302.33 g/mol
- Monoisotopic mass
- 302.06376032
Names & identifiers
- Preferred name
- 3-[5-[(2-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
- IUPAC
- 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
Names & synonyms
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol797799-19-0MLS001165409CHEMBL1887488REGID_for_CID_949809DTXSID701327391HMS2870E16STL336719AKOS022139805SMR0005400453-(5-((2-fluorobenzyl)thio)-1H-tetrazol-1-yl)phenol3-{5-[(2-fluorobenzyl)sulfanyl]-1H-tetrazol-1-yl}phenol
Show more names
3-(5-{[(2-Fluorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)phenol
Database identifiers
- CAS
797799-19-0- PubChem CID
- 949809
- DTXSID
DTXSID701327391- ChEMBL
CHEMBL1887488
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility7.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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