Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Bithionol / 2,2-Thiobis(4,6-dichlorophenol) 97-18-7 2406
Structure Other Information
Canonical SMILES C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl
Iso SMILES C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl
InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChI Key JFIOVJDNOJYLKP-UHFFFAOYSA-N
Formula C12H6Cl4O2S
Mol Weight 356.052
XlogP3 5.8
Charge 0

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Synonyms Information
CAS Name 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)thio]phenol
IUPAC Name 2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulfanyl-phenol
Openeye Name 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
Systematic Name 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol
Tratitional Name 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol