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151220-60-9 | Guanidine, N,N'-bis(4-bromophenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-
CAS No: 151220-60-9 Catalog No: AG001N6N MDL No:
Product Description
Catalog Number:
AG001N6N
Chemical Name:
Guanidine, N,N'-bis(4-bromophenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-
CAS Number:
151220-60-9
Molecular Formula:
C15H10Br2N4S3
Molecular Weight:
502.2697
IUPAC Name:
1,1-bis(4-bromophenyl)-2-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
InChI:
InChI=1S/C15H10Br2N4S3/c16-9-1-5-11(6-2-9)21(12-7-3-10(17)4-8-12)13(18)19-14-20-15(22)24-23-14/h1-8H,(H2,18,19,20,22)
InChI Key:
ZKIUWACSZVAQBF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=N)N(c1ssc(=S)n1)c1ccc(cc1)Br
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.841g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
502.261g/mol
Monoisotopic Mass:
499.843g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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