1533425-74-9
1,3-dichloro-2-(3,3-dimethylbut-1-ynyl)-5-isothiocyanatobenzene
Name1,3-dichloro-2-(3,3-dimethylbut-1-ynyl)-5-isothiocyanatobenzene
1Identification
【Name】
1,3-dichloro-2-(3,3-dimethylbut-1-ynyl)-5-isothiocyanatobenzene
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H11Cl2NS
【MolWeight】
284.204
【Inchi】
InChI=1S/C13H11Cl2NS/c1-13(2,3)5-4-10-11(14)6-9(16-8-17)7-12(10)15/h6-7H,1-3H3
【InChIKey】
InChIKey=YGYVPAAOGQDNHD-UHFFFAOYSA-N
【SMILES】
ClC1=C(C(=CC(=C1)N=C=S)Cl)C#CC(C)(C)C
【MOL File】
1,3-dichloro-2-(3,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
1,3-dichloro-2-(3,3-dimethylbut-1-ynyl)-5-isothiocyanatobenzene.cml