287495-13-0
2-[2-[2-氯-3-[2-(3-甲基-3H-苯并噻唑-2-亚基)-亚乙基]-1-环戊烯-1-基]乙烯基]-3-甲基-苯并噻唑正离子
Name
2-[2-[2-氯-3-[2-(3-甲基-3H-苯并噻唑-2-亚基)-亚乙基]-1-环戊烯-1-基]乙烯基]-3-甲基-苯并噻唑正离子
pro_formula
C9 H16 N2 O2
pro_molWeight
184.237
1Identification
【Name】
2-[2-[2-氯-3-[2-(3-甲基-3H-苯并噻唑-2-亚基)-亚乙基]-1-环戊烯-1-基]乙烯基]-3-甲基-苯并噻唑正离子
【CAS】
【MDL】
MFCD18833343
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C9 H16 N2 O2
【pro_molWeight】
184.237
【Inchi】
InChI=1S/C9H16N2O2/c1-4-11-7(6(2)3)5-10-8(12)9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12)/t7-/m1/s1
【InChIKey】
InChIKey=KJHGIPKLQJJJFN-SSDOTTSWSA-N
【SMILES】
CCN1[C@H](CNC(=O)C1=O)C(C)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[2-[2-氯-3-[2-(3-甲基-3H-苯并噻唑-2-亚基)-亚乙基]-1-环戊烯-1-基]乙烯基]-3-甲基-苯并噻唑正离子.cml
quick_release
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