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77893-24-4 | Guanidine,N'-cyano-N''-[2-[[(2,3-dihydro-5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N-methyl-N-nitroso-
CAS No: 77893-24-4 Catalog No: AG008O34 MDL No:
Product Description
Catalog Number:
AG008O34
Chemical Name:
Guanidine,N'-cyano-N''-[2-[[(2,3-dihydro-5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N-methyl-N-nitroso-
CAS Number:
77893-24-4
Molecular Formula:
C10H17N7OS
Molecular Weight:
283.3533
IUPAC Name:
3-cyano-1-methyl-2-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine
InChI:
InChI=1S/C10H17N7OS/c1-8-9(15-7-14-8)5-19-4-3-12-10(13-6-11)17(2)16-18/h14-15H,3-5,7H2,1-2H3,(H,12,13)
InChI Key:
LALZBPWQJUMDSC-UHFFFAOYSA-N
SMILES:
N#CN=C(N(N=O)C)NCCSCC1=C(C)NCN1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.354g/mol
Monoisotopic Mass:
283.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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