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224967-52-6

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Basic Information
CAS No.: 224967-52-6
Name: Basic Green 5
Molecular Structure:
Molecular Structure of 224967-52-6 (Basic Green 5)
Formula: 2(C16H17ClN4O2S).ZnCl2
Molecular Weight: 865.98
Synonyms: Methylene green zinc chloride double salt;
EINECS: 220-231-2
PSA: 186.86000
LogP: 11.34350
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Specification

The Basic Green 5 with the CAS number 224967-52-6 is also called Methylene green zinc chloride double salt. Its molecular formula is 2(C16H17ClN4O2S).ZnCl2. The properties of the Basic Green 5 are: (1)#H bond acceptors: 12; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 179.46 Å2. This chemical should be stored in dry and cool environment.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[Cl-].Cl[Zn]Cl.[O-][N+](=O)C=1\C(=[N+](/C)C)\C=C/C\2=N/c3ccc(N(C)C)cc3SC=1/2.[O-][N+](=O)\C2=C1/Sc3cc(ccc3\N=C1\C=C/C2=[N+](/C)C)N(C)C
(2)InChI: InChI=1/2C16H17N4O2S.4ClH.Zn/c2*1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;;;;;/h2*5-9H,1-4H3;4*1H;/q2*+1;;;;;+2/p-4
(3)InChIKey: ZGFKRQWRLSADBE-XBHQNQODAT