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5-acetyl-4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-3-ium chloride

5-acetyl-4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-3-ium chloride

CAS: 1223343-03-0

Formula: C11H12ClN3OS

SMILES: [Cl-].CC(=O)C1=C(C)[NH+]=C(NC2=NC=CC=C2)S1

IUPAC: 5-acetyl-4-methyl-2-[(pyridin-2-yl)amino]-1,3-thiazol-3-ium chloride

InChI: InChI=1S/C11H11N3OS.ClH/c1-7-10(8(2)15)16-11(13-7)14-9-5-3-4-6-12-9;/h3-6H,1-2H3,(H,12,13,14);1H

Composition: C (48.98%), H (4.48%), Cl (13.14%), N (15.58%), O (5.93%), S (11.89%)

Molar Mass: 269.75

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.0389609
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JGUVYMLMOYABAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.35
Topological Polar Surface Area 56.13
Polarizability 23.73
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1223343-03-0 $51.35-$524.40$51.35$63.37$86.31$524.40
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