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100524-52-5 | Pseudourea, 2,2'-(iminodiethylene)bis[2-thio-, trihydrobromide (6CI)
CAS No: 100524-52-5 Catalog No: AG000293 MDL No:
Product Description
Catalog Number:
AG000293
Chemical Name:
Pseudourea, 2,2'-(iminodiethylene)bis[2-thio-, trihydrobromide (6CI)
CAS Number:
100524-52-5
Molecular Formula:
C6H18Br3N5S2
Molecular Weight:
464.0826
IUPAC Name:
2-(2-carbamimidoylsulfanylethylamino)ethyl carbamimidothioate;trihydrobromide
InChI:
InChI=1S/C6H15N5S2.3BrH/c7-5(8)12-3-1-11-2-4-13-6(9)10;;;/h11H,1-4H2,(H3,7,8)(H3,9,10);3*1H
InChI Key:
REUHSZZZJINFEQ-UHFFFAOYSA-N
SMILES:
NC(=N)SCCNCCSC(=N)N.Br.Br.Br
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.853g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
464.077g/mol
Monoisotopic Mass:
460.855g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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