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5-{2-[(4-hydroxy-2-methylphenyl)amino]ethenyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

5-{2-[(4-hydroxy-2-methylphenyl)amino]ethenyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

CAS: 338751-30-7

Formula: C14H13N3OS2

SMILES: CSC1=NSC(C=CNC2=C(C)C=C(O)C=C2)=C1C#N

IUPAC: 5-{2-[(4-hydroxy-2-methylphenyl)amino]ethenyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

InChI: InChI=1S/C14H13N3OS2/c1-9-7-10(18)3-4-12(9)16-6-5-13-11(8-15)14(19-2)17-20-13/h3-7,16,18H,1-2H3

Composition: C (55.42%), H (4.32%), N (13.85%), O (5.27%), S (21.13%)

Molar Mass: 303.4

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 303.050004399
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey BYYFKAJSTZBQDN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.25
Topological Polar Surface Area 68.94
Polarizability 31.41
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338751-30-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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