EINECS 209-349-5

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;5-sulfonaphthalene-1-sulfonate

CAS: 573-09-1

Molecular Formula	`C22H24N4O7S3`
Molecular Weight	552.7 g/mol
Topological Polar Surface Area	232.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	552.0807
Heavy Atoms	36
Complexity	753.0

Chemical Identifiers

CAS Number	573-09-1
SMILES	`CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O`
InChIKey	`STJLLECREIYBCK-UHFFFAOYSA-M`

📖 Product Overview

EINECS 209-349-5 (CAS: 573-09-1) is a chemical compound with molecular formula C22H24N4O7S3 and molecular weight 552.7 g/mol. Its IUPAC systematic name is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;5-sulfonaphthalene-1-sulfonate. Topological Polar Surface Area 232.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 11 Rotatable Bonds 5 Exact Mass 552.0807 Heavy Atoms 36 Complexity 753.0 InChI Key: STJLLECREIYBCK-UHFFFAOYSA-M. SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O.

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