General Information of the Compound
| Compound ID |
CP0309908
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| Compound Name |
4-Methylbenzenemethanethiol
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| Synonyms |
(4-Methylphenyl)methanethiol
(4-Methylphenyl)methanethiol #
(4-methylphenyl)methane-1-thiol
4-Methyl-alpha-toluenethiol
4-Methylbenzenemethanethiol
4-Methylbenzyl Mercaptan
4-Methylbenzylmercaptan
4498-99-1
AC1L2UTO
AC1Q7GOJ
ACMC-1AQT2
AGFYZLVFPSGUIX-UHFFFAOYSA-N
Benzenemethanethiol, 4-methyl-
CHEMBL1224559
CTK3J1384
DTXSID30196349
EINECS 224-796-6
MolPort-000-146-954
NSC79870
P-Xylyl Mercaptan
PARA-XYLENE-ALPHA-THIOL
SCHEMBL385561
alpha-Mercapto-p-xylene
p-Xylene-alpha-thiol
p-tolylmethanethiol
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| Structure |
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| Formula |
C8H10S
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| Molecular Weight |
138.235
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| Canonical SMILES |
Cc1ccc(CS)cc1
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| InChI |
InChI=1S/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
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| InChIKey |
AGFYZLVFPSGUIX-UHFFFAOYSA-N
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| CAS |
4498-99-1
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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