General Information of the Compound
| Compound ID |
CP0036588
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| Compound Name |
2-Chlorobenzenemethanethiol
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| Synonyms |
(2-Chlorophenyl)methanethiol
(2-Chlorophenyl)methanethiol #
2-Chloro benzyl mercaptan
2-Chlorobenzenemethanethiol
2-Chlorobenzyl mercaptan
2-Chlorobenzyl mercaptan, 98%
2-Chlorobenzylmercaptan
2-chloro-alpha-toluenethiol
2-chlorophenyl-methanethiol
2-chlorophenylmethanethiol
39718-00-8
AC1LBDF6
AC1Q3PHW
ACMC-1CT33
Benzenemethanethiol, 2-chloro-
CHEMBL1224556
CTK3J1402
PubChem6836
SCHEMBL646102
WWFIIZLHSNBNTC-UHFFFAOYSA-N
o-chlorobenzylmercaptan
o-chlorotoluene-α-thiol
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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 |
SCc1ccccc1Cl
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| InChI |
InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
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| InChIKey |
WWFIIZLHSNBNTC-UHFFFAOYSA-N
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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