Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide 37335-15-2 18594026
Structure Other Information
Canonical SMILES C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
Iso SMILES C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)SC(Cl)(Cl)Cl
InChI InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2/t5-,6+
InChI Key LDVVMCZRFWMZSG-OLQVQODUSA-N
Formula C9H8Cl3NO2S
Mol Weight 300.589
XlogP3 2.4
Charge 0

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Synonyms Information
CAS Name (3aR,7aS)-2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name (3aR,7aS)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Openeye Name (3aR,7aS)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Systematic Name (3aR,7aS)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Tratitional Name (3aR,7aS)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione