3-乙烯基-1,5-二氢-3H-2,4-苯并二噁庚英

pro_cas
75449-06-8
pro_cdbregno
CCD00250523
pro_formula
2 C18 H22 Cl N3 O S2 . 2 Cl H . H2 O
pro_molWeight
882.89

basic_info

Product_Name: 3-乙烯基-1,5-二氢-3H-2,4-苯并二噁庚英
CAS: 75449-06-8
中文同义词: 3-乙烯基-1,5-二氢-3H-2,4-苯并二噁庚英
EnglishSynonyms: 1-PROPANONE, 3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)-1-(4-METHYL-2-(METHYLTHIO)-5-THIAZOLYL)-, HYDROCHLORIDE, HYDRATE (2:2:1)
pro_mdlNumber: MFCD01749190
pro_acceptors: 4
pro_donors: 0
pro_smile: Cc1c(sc(n1)SC)C(=O)CCN2CCN(CC2)c3ccc(cc3)Cl.Cc1c(sc(n1)SC)C(=O)CCN2CCN(CC2)c3ccc(cc3)Cl.O.Cl.Cl
InChi: InChI=1S/2C18H22ClN3OS2.2ClH.H2O/c2*1-13-17(25-18(20-13)24-2)16(23)7-8-21-9-11-22(12-10-21)15-5-3-14(19)4-6-15;;;/h2*3-6H,7-12H2,1-2H3;2*1H;1H2
InChiKey: InChIKey=JLKWWXVNVPGVHX-UHFFFAOYSA-N

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