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845879-02-9 | [(6-Bromobenzo[d]thiazol-2-ylthio)methyl] methyl cyanocarbonimidodithioate
CAS No: 845879-02-9 Catalog No: AG01F2AD MDL No:
Product Description
Catalog Number:
AG01F2AD
Chemical Name:
[(6-Bromobenzo[d]thiazol-2-ylthio)methyl] methyl cyanocarbonimidodithioate
CAS Number:
845879-02-9
Molecular Formula:
C11H8BrN3S4
Molecular Weight:
390.3653
IUPAC Name:
[(6-bromo-1,3-benzothiazol-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide
InChI:
InChI=1S/C11H8BrN3S4/c1-16-10(14-5-13)17-6-18-11-15-8-3-2-7(12)4-9(8)19-11/h2-4H,6H2,1H3
InChI Key:
VDUYLBRXYVYXHM-UHFFFAOYSA-N
SMILES:
N#C/N=C(/SCSc1nc2c(s1)cc(cc2)Br)\SC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.878g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.35g/mol
Monoisotopic Mass:
388.878g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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