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74017-64-4 | 1,2-Dimethyl-5-[(4-pyridinylthio)methyl]-4(1H)?-?pyrimidinimine perchlorate
CAS No: 74017-64-4 Catalog No: AG01EX8Z MDL No:
Product Description
Catalog Number:
AG01EX8Z
Chemical Name:
1,2-Dimethyl-5-[(4-pyridinylthio)methyl]-4(1H)?-?pyrimidinimine perchlorate
CAS Number:
74017-64-4
Molecular Formula:
C12H15ClN4O4S
Molecular Weight:
346.7899
IUPAC Name:
1,2-dimethyl-5-(pyridin-4-ylsulfanylmethyl)pyrimidin-1-ium-4-amine;perchlorate
InChI:
InChI=1S/C12H14N4S.ClHO4/c1-9-15-12(13)10(7-16(9)2)8-17-11-3-5-14-6-4-11;2-1(3,4)5/h3-7,13H,8H2,1-2H3;(H,2,3,4,5)
InChI Key:
PUOMJUJHPMEFAL-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.Nc1nc(C)[n+](cc1CSc1ccncc1)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.786g/mol
Monoisotopic Mass:
346.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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