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4-(4-fluoro-3-methylphenyl)-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-3-ium chloride

4-(4-fluoro-3-methylphenyl)-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-3-ium chloride

CAS: 1274892-39-5

Formula: C22H18ClFN2OS

SMILES: [Cl-].CC1=C(F)C=CC(=C1)C1=CSC(NC2=CC=C(OC3=CC=CC=C3)C=C2)=[NH+]1

IUPAC: 4-(4-fluoro-3-methylphenyl)-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-3-ium chloride

InChI: InChI=1S/C22H17FN2OS.ClH/c1-15-13-16(7-12-20(15)23)21-14-27-22(25-21)24-17-8-10-19(11-9-17)26-18-5-3-2-4-6-18;/h2-14H,1H3,(H,24,25);1H

Composition: C (64.00%), H (4.39%), Cl (8.59%), F (4.60%), N (6.78%), O (3.87%), S (7.76%)

Molar Mass: 412.91

Atom Count: 46

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 412.0812402
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey QMSZGBHWOIQXBQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 116.68
Topological Polar Surface Area 35.4
Polarizability 41.79
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1274892-39-5 $51.35-$86.31$51.35$63.37$86.31
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