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89250-82-8 | Methanimidamide, N-cyano-N'-[3-(2-methyl-4-thiazolyl)phenyl]-
CAS No: 89250-82-8 Catalog No: AG0041UP MDL No:
Product Description
Catalog Number:
AG0041UP
Chemical Name:
Methanimidamide, N-cyano-N'-[3-(2-methyl-4-thiazolyl)phenyl]-
CAS Number:
89250-82-8
Molecular Formula:
C12H10N4S
Molecular Weight:
242.2996
IUPAC Name:
N-cyano-N'-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanimidamide
InChI:
InChI=1S/C12H10N4S/c1-9-16-12(6-17-9)10-3-2-4-11(5-10)15-8-14-7-13/h2-6,8H,1H3,(H,14,15)
InChI Key:
MYYBTZQJNXTUEY-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1cccc(c1)c1csc(n1)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.3g/mol
Monoisotopic Mass:
242.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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