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845879-01-8 | [(6-Bromobenzo[d]thiazol-2-yloxy)methyl] propyl cyanocarbonimidodithioate
CAS No: 845879-01-8 Catalog No: AG01F2AI MDL No:
Product Description
Catalog Number:
AG01F2AI
Chemical Name:
[(6-Bromobenzo[d]thiazol-2-yloxy)methyl] propyl cyanocarbonimidodithioate
CAS Number:
845879-01-8
Molecular Formula:
C13H12BrN3OS3
Molecular Weight:
402.3529
IUPAC Name:
[(6-bromo-1,3-benzothiazol-2-yl)oxymethylsulfanyl-propylsulfanylmethylidene]cyanamide
InChI:
InChI=1S/C13H12BrN3OS3/c1-2-5-19-13(16-7-15)20-8-18-12-17-10-4-3-9(14)6-11(10)21-12/h3-4,6H,2,5,8H2,1H3
InChI Key:
FXTOUMVFVDLPAV-UHFFFAOYSA-N
SMILES:
CCCS/C(=N\C#N)/SCOc1nc2c(s1)cc(cc2)Br
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.933g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.343g/mol
Monoisotopic Mass:
400.933g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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