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89493-72-1

89493-72-1 | Thiazolium, 4,5-dihydro-3-methyl-2-[[3-[(3-methyl-2-thiazolidinylidene)methyl]-2-cyclohexen-1-ylidene]methyl]-, perchlorate (1:1)

CAS No: 89493-72-1 Catalog No: AG0041S7 MDL No:

Product Description

Catalog Number:
AG0041S7
Chemical Name:
Thiazolium, 4,5-dihydro-3-methyl-2-[[3-[(3-methyl-2-thiazolidinylidene)methyl]-2-cyclohexen-1-ylidene]methyl]-, perchlorate (1:1)
CAS Number:
89493-72-1
Molecular Formula:
C16H23ClN2O4S2
Molecular Weight:
406.9478
IUPAC Name:
3-methyl-2-[[3-[(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-1,3-thiazolidine;perchlorate
InChI:
InChI=1S/C16H23N2S2.ClHO4/c1-17-6-8-19-15(17)11-13-4-3-5-14(10-13)12-16-18(2)7-9-20-16;2-1(3,4)5/h10-12H,3-9H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KHIMYKDSIFFDRY-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CN1CCSC1=CC1=CC(=CC2=[N+](C)CCS2)CCC1

Properties

Complexity:
569  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.079g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.94g/mol
Monoisotopic Mass:
406.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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