General Information of the Compound
| Compound ID |
CP0302197
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| Compound Name |
4-Chlorobenzenemethanethiol
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| Synonyms |
(4-Chlorophenyl)methanethiol
4-Chloro benzyl mercaptan
4-Chlorobenzenemethanethiol
4-Chlorobenzyl mercaptan
4-Chlorobenzylmercaptan
4-chlor-benzylthiol
4-chloro-alpha-toluenethiol
4-chloro-benzylmercaptan
4-chlorobenzyl thiol
4-chlorophenyl methanethiol
4-chlorophenylmethanethiol
6258-66-8
AC1L2ZDM
AC1Q3NX5
ACMC-1BE9W
Benzenemethanethiol, 4-chloro-
CHEMBL1224555
EINECS 228-395-7
GKQXPTHQTXCXEV-UHFFFAOYSA-N
NSC 108735
PubChem6838
p-Chlorobenzyl mercaptan
p-Chlorotoluene-alpha-thiol
p-chlorobenzylmercaptan
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| Structure |
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| Formula |
C7H7ClS
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| Molecular Weight |
158.653
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| Canonical SMILES |
SCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
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| InChIKey |
GKQXPTHQTXCXEV-UHFFFAOYSA-N
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| CAS |
6258-66-8
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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