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ethyl 4-{[(2Z)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate

ethyl 4-{[(2Z)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate

CAS: 17823-28-8

Formula: C12H12N2O3S

SMILES: CCOC(=O)C1=CC=C(C=C1)N=C1NC(=O)CS1

IUPAC: ethyl 4-{[(2Z)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate

InChI: InChI=1S/C12H12N2O3S/c1-2-17-11(16)8-3-5-9(6-4-8)13-12-14-10(15)7-18-12/h3-6H,2,7H2,1H3,(H,13,14,15)

Composition: C (54.53%), H (4.58%), N (10.60%), O (18.16%), S (12.13%)

Molar Mass: 264.3

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.056863428
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MRDXMESGLAWUKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.06
Topological Polar Surface Area 67.76
Polarizability 26.43
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 17823-28-8 $39.00$39.00
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