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88542-04-5 | Guanidine, [4-[2-[[(cyanoamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS No: 88542-04-5 Catalog No: AG004CR4 MDL No:
Product Description
Catalog Number:
AG004CR4
Chemical Name:
Guanidine, [4-[2-[[(cyanoamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS Number:
88542-04-5
Molecular Formula:
C12H11N7S
Molecular Weight:
285.3276
IUPAC Name:
N-cyano-N'-[2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide
InChI:
InChI=1S/C12H11N7S/c13-6-16-7-17-9-4-2-1-3-8(9)10-5-20-12(18-10)19-11(14)15/h1-5,7H,(H,16,17)(H4,14,15,18,19)
InChI Key:
RKLMCFCQCBSNEJ-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccccc1c1csc(n1)NC(=N)N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.329g/mol
Monoisotopic Mass:
285.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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