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Home > Thiazole > 1426290-82-5
1426290-82-5 | N-[3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]GUANIDINE METHANESULFONATE
CAS No: 1426290-82-5 Catalog No: AG01AQCL MDL No:MFCD16653188
Product Description
Catalog Number:
AG01AQCL
Chemical Name:
N-[3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]GUANIDINE METHANESULFONATE
CAS Number:
1426290-82-5
Molecular Formula:
C12H16N4O3S2
Molecular Weight:
328.4104
MDL Number:
MFCD16653188
IUPAC Name:
methanesulfonic acid;2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]guanidine
InChI:
InChI=1S/C11H12N4S.CH4O3S/c1-7-14-10(6-16-7)8-3-2-4-9(5-8)15-11(12)13;1-5(2,3)4/h2-6H,1H3,(H4,12,13,15);1H3,(H,2,3,4)
InChI Key:
QQLMKYKISXJGMA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.NC(=N)Nc1cccc(c1)c1csc(n1)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.405g/mol
Monoisotopic Mass:
328.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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