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74636-68-3 | Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-[(5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]-,bromide (1:1)
CAS No: 74636-68-3 Catalog No: AG005J24 MDL No:
Product Description
Catalog Number:
AG005J24
Chemical Name:
Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-[(5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]-,bromide (1:1)
CAS Number:
74636-68-3
Molecular Formula:
C14H17BrN4OS
Molecular Weight:
369.2800
IUPAC Name:
2-[4-methyl-3-[(5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol;bromide
InChI:
InChI=1S/C14H17N4OS.BrH/c1-10-13(3-6-19)20-9-17(10)8-12-7-16-11(2)18-5-4-15-14(12)18;/h4-5,7,9,19H,3,6,8H2,1-2H3;1H/q+1;/p-1
InChI Key:
MNKHQVZADPWXBC-UHFFFAOYSA-M
SMILES:
OCCc1sc[n+](c1C)Cc1cnc(n2c1ncc2)C.[Br-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.281g/mol
Monoisotopic Mass:
368.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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