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ethyl 2-(4-aminophenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(4-aminophenyl)-1,3-thiazole-4-carboxylate

CAS: 730234-73-8

Formula: C12H12N2O2S

SMILES: CCOC(=O)C1=CSC(=N1)C1=CC=C(N)C=C1

IUPAC: ethyl 2-(4-aminophenyl)-1,3-thiazole-4-carboxylate

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

Composition: C (58.05%), H (4.87%), N (11.28%), O (12.89%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.061948808
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LZHUXAJBTASELP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.47
Topological Polar Surface Area 65.21
Polarizability 25.81
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 730234-73-8 $1,700.00-$2,860.00$1,700.00$1,760.00$2,860.00
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