General Information of the Compound
| Compound ID |
CP0146631
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| Compound Name |
2,4-Dichlorobenzenemethanethiol
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| Synonyms |
(2,4-Dichlorophenyl)methanethiol
2,4-Dichloro-alpha-toluenethiol
2,4-Dichlorobenzenemethanethiol
2,4-Dichlorobenzyl mercaptan
2,4-Dichlorobenzylmercaptan
2,4-Dichlorothiobenzyl Alcohol
2,4-Dichlorotoluene-alpha-thiol
2,4-dichlorophenylmethanethiol
59293-67-3
AC1L3V0Z
AC1Q3MDQ
ACMC-1B9KZ
AI3-31458
Benzenemethanethiol, 2,4-dichloro-
CHEMBL1224561
CTK5A9733
DTXSID70208016
EINECS 261-687-2
MolPort-004-354-551
NSC33218
SCHEMBL1802752
ZSPXTTVUJDSRNJ-UHFFFAOYSA-
ZSPXTTVUJDSRNJ-UHFFFAOYSA-N
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| Structure |
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| Formula |
C7H6Cl2S
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| Molecular Weight |
193.098
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| Canonical SMILES |
SCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
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| InChIKey |
ZSPXTTVUJDSRNJ-UHFFFAOYSA-N
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| CAS |
59293-67-3
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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