General Information of the Compound
| Compound ID |
CP0402400
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| Compound Name |
4-Methoxybenzenemethanethiol
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| Synonyms |
(4-Methoxyphenyl)methanethiol
4-Methoxy Benzylmercaptan
4-Methoxy benzyl mercaptan
4-Methoxy-
4-Methoxy-.alpha.-toluenethiol
4-Methoxy-alpha-toluenethiol
4-Methoxy-alpha-toluenethiol, 95%
4-Methoxybenzenemethanethiol
4-Methoxybenzyl mercaptan
4-methoxybenzylmercaptan
4-methoxybenzylthiol
6258-60-2
Benzenemethanethiol, 4-methoxy-
CHEMBL1224560
EINECS 228-393-6
PTDVPWWJRCOIIO-UHFFFAOYSA-N
p-Methoxy-.alpha.-toluenethiol
p-Methoxybenzyl Mercaptan
p-Methoxybenzylmercaptan
p-Methoxybenzylthiol
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| Structure |
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| Formula |
C8H10OS
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| Molecular Weight |
154.234
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| Canonical SMILES |
COc1ccc(CS)cc1
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| InChI |
InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
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| InChIKey |
PTDVPWWJRCOIIO-UHFFFAOYSA-N
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| CAS |
6258-60-2
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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