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856-51-9 | N-phenyl-1-[5-(N-phenylcarbamimidoyl)sulfanylpentylsulfanyl]methanimidamide
CAS No: 856-51-9 Catalog No: AG0050Y9 MDL No:
Product Description
Catalog Number:
AG0050Y9
Chemical Name:
N-phenyl-1-[5-(N-phenylcarbamimidoyl)sulfanylpentylsulfanyl]methanimidamide
CAS Number:
856-51-9
Molecular Formula:
C19H24N4S2
Molecular Weight:
372.5507
IUPAC Name:
5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate;dihydrobromide
InChI:
InChI=1S/C19H24N4S2.2BrH/c20-18(22-16-10-4-1-5-11-16)24-14-8-3-9-15-25-19(21)23-17-12-6-2-7-13-17;;/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,20,22)(H2,21,23);2*1H
InChI Key:
OGCYCSOSVUPJJY-UHFFFAOYSA-N
SMILES:
N=C(Nc1ccccc1)SCCCCCSC(=N)Nc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.995g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
534.373g/mol
Monoisotopic Mass:
531.997g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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