680213-28-9
1-BROMO-4-[3-(((CYANOIMINO)[(5,5-DICHLORO-2-METHYLPENTA-2,4-DIENYL)THIO]METHYL)THIO)ALLANOYL]BENZENE
Name1-BROMO-4-[3-(((CYANOIMINO)[(5,5-DICHLORO-2-METHYLPENTA-2,4-DIENYL)THIO]METHYL)THIO)ALLANOYL]BENZENE
FormulaC17 H13 Br Cl2 N2 O S2
1Identification
【Name】
1-BROMO-4-[3-(((CYANOIMINO)[(5,5-DICHLORO-2-METHYLPENTA-2,4-DIENYL)THIO]METHYL)THIO)ALLANOYL]BENZENE
【CAS】
【MDL】
MFCD00102866
【English Synonyms】
【Formula】
C17 H13 Br Cl2 N2 O S2
【MolWeight】
476.245
【Inchi】
InChI=1S/C17H13BrCl2N2OS2/c1-12(2-7-16(19)20)10-25-17(22-11-21)24-9-8-15(23)13-3-5-14(18)6-4-13/h2-9H,10H2,1H3/b9-8+,12-2+,22-17-
【InChIKey】
InChIKey=GPQAWPIENHKXAO-PYPLIGKHSA-N
【SMILES】
C/C(=C\C=C(Cl)Cl)/CS/C(=N\C#N)/S/C=C/C(=O)c1ccc(cc1)Br
【MOL File】
1-BROMO-4-[3-(((CYAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BROMO-4-[3-(((CYANOIMINO)[(5,5-DICHLORO-2-METHYLPENTA-2,4-DIENYL)THIO]METHYL)THIO)ALLANOYL]BENZENE.cml