General Information of the Compound
| Compound ID |
CP0269206
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| Compound Name |
Benzenemethanethiol
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| Synonyms |
(Mercaptomethyl)benzene
.alpha.-Toluenethiol
.alpha.-Toluolthiol
100-53-8
BENZENEMETHANETHIOL
BENZYL MERCAPTAN
Benzenemethanethiol
Benzyl hydrosulfide
Benzylhydrosulfide
Benzylmercaptan
Benzylthiol
CCRIS 9
FEMA No. 2147
Methanethiol, phenyl-
NSC 41897
Phenylmethanethiol
Phenylmethyl mercaptan
Thiobenzyl alcohol
Toluene, alpha-mercapto-
Toluene-alpha-thiol
UNII-OS34A21OBZ
USAF ex-1509
alpha-Mercaptotoluene
alpha-Toluenethiol
alpha-Toluolthiol
alpha-Tolyl mercaptan
benzyl thiol
benzyl-MERCAPTAN
phenyl-methanethiol
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| Structure |
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| Formula |
C7H8S
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| Molecular Weight |
124.208
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| Canonical SMILES |
SCc1ccccc1
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| InChI |
InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
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| InChIKey |
UENWRTRMUIOCKN-UHFFFAOYSA-N
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| CAS |
16528-58-8
100-53-8
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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