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59660-23-0 | N-Nitro-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine
CAS No: 59660-23-0 Catalog No: AG00F2A8 MDL No:
Product Description
Catalog Number:
AG00F2A8
Chemical Name:
N-Nitro-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine
CAS Number:
59660-23-0
IUPAC Name:
hydroxy-[[N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]amino]-oxoazanium
InChI:
InChI=1S/C9H17N6O2S/c1-7-8(13-6-12-7)5-18-4-3-11-9(10-2)14-15(16)17/h6H,3-5H2,1-2H3,(H,12,13)(H,16,17)(H2,10,11,14)/q+1
InChI Key:
FFVFDZUDMSIHRR-UHFFFAOYSA-N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.113g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.335g/mol
Monoisotopic Mass:
273.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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