General Information of the Compound
| Compound ID |
CP0269207
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| Compound Name |
4-Fluorobenzenemethanethiol
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| Synonyms |
(4-Fluorophenyl)methanethiol
(4-fluoro-phenyl)-methanethiol
15894-04-9
4-Fluoro benzyl mercaptan
4-Fluorobenzenemethanethiol
4-Fluorobenzyl mercaptan
4-Fluorobenzyl mercaptan, 96%
4-fluoro-alpha-toluenethiol
4-fluorobenzyl thiol
4-fluorobenzylmercaptan
4-fluorobenzylmercaptane
4-fluorobenzylthiol
4-fluorophenylmethanethiol
AC1Q4NST
ACMC-209dj5
Benzenemethanethiol, 4-fluoro-
CHEMBL1224558
EINECS 240-031-9
PubChem6855
RKTRHMNWVZRZJQ-UHFFFAOYSA-N
p-Fluorotoluene-alpha-thiol
p-fluorobenzenemethanethiol
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| Structure |
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| Formula |
C7H7FS
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| Molecular Weight |
142.198
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| Canonical SMILES |
Fc1ccc(CS)cc1
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| InChI |
InChI=1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
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| InChIKey |
RKTRHMNWVZRZJQ-UHFFFAOYSA-N
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| CAS |
15894-04-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound