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ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate hydrochloride

ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate hydrochloride

CAS: 77505-85-2

Formula: C12H13ClN2O2S

SMILES: Cl.CCOC(=O)C1=C(SC(N)=N1)C1=CC=CC=C1

IUPAC: ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate hydrochloride

InChI: InChI=1S/C12H12N2O2S.ClH/c1-2-16-11(15)9-10(17-12(13)14-9)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H2,13,14);1H

Composition: C (50.62%), H (4.60%), Cl (12.45%), N (9.84%), O (11.24%), S (11.26%)

Molar Mass: 284.76

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 284.0386265
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LQEAJOQRYVBRRI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.76
Topological Polar Surface Area 65.21
Polarizability 26.47
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 77505-85-2 $320.85-$494.11$320.85$494.11
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