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methyl 2-amino-5-(4-cyanophenyl)-1,3-thiazole-4-carboxylate

methyl 2-amino-5-(4-cyanophenyl)-1,3-thiazole-4-carboxylate

CAS: 886361-36-0

Formula: C12H9N3O2S

SMILES: COC(=O)C1=C(SC(N)=N1)C1=CC=C(C=C1)C#N

IUPAC: methyl 2-amino-5-(4-cyanophenyl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C12H9N3O2S/c1-17-11(16)9-10(18-12(14)15-9)8-4-2-7(6-13)3-5-8/h2-5H,1H3,(H2,14,15)

Composition: C (55.59%), H (3.50%), N (16.21%), O (12.34%), S (12.36%)

Molar Mass: 259.28

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 259.041547716
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RKIMWRDVYVWWLZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.74
Topological Polar Surface Area 89
Polarizability 26.47
Ring Count 2
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 886361-36-0 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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