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

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

CAS: 886361-40-6

Formula: C11H9ClN2O2S

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

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

InChI: InChI=1S/C11H9ClN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-4-2-3-5-7(6)12/h2-5H,1H3,(H2,13,14)

Composition: C (49.17%), H (3.38%), Cl (13.19%), N (10.43%), O (11.91%), S (11.93%)

Molar Mass: 268.72

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.0073264
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PYOYAFBTVXWGRD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.82
Topological Polar Surface Area 65.21
Polarizability 26.54
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 886361-40-6 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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