General Information of the Compound
| Compound ID |
CP0036589
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| Compound Name |
3,4-Dichlorobenzenemethanethiol
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| Synonyms |
(3,4-Dichloro-phenyl)-methanethiol
(3,4-Dichlorophenyl)methanethiol
(3,4-Dichlorophenyl)methanethiol #
3,4-Dichloro-alpha-toluenethiol
3,4-Dichlorobenzenemethanethiol
3,4-Dichlorobenzyl mercaptan
3,4-Dichlorotoluene-alpha-thiol
3,4-dichlorobenzylmercaptan
36480-40-7
AC1L3NZT
AC1Q3O9X
ACMC-1AEX5
BDBM50325571
Benzenemethanethiol, 3,4-dichloro-
CEGBRSQPRQXALB-UHFFFAOYSA-N
CHEMBL1224626
CTK3J7596
DTXSID50189990
EINECS 253-054-4
GEO-00980
MFCD00039651
MolPort-002-498-119
SCHEMBL232137
ZINC4802670
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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)c(Cl)c1
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| InChI |
InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
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| InChIKey |
CEGBRSQPRQXALB-UHFFFAOYSA-N
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| CAS |
36480-40-7
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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