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(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione

Formula: C19H11Cl2NO3S

SMILES: ClC1=CC=C(C=C1)N1C(=O)SC(=C/C2=CC=C(OCC#C)C(Cl)=C2)C1=O

IUPAC: (5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione

InChI: InChI=1S/C19H11Cl2NO3S/c1-2-9-25-16-8-3-12(10-15(16)21)11-17-18(23)22(19(24)26-17)14-6-4-13(20)5-7-14/h1,3-8,10-11H,9H2/b17-11-

Composition: C (56.45%), H (2.74%), Cl (17.54%), N (3.46%), O (11.87%), S (7.93%)

Molar Mass: 404.26

Atom Count: 37

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 402.9836698
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PWDVHFLCUZXSIA-BOPFTXTBSA-N
Lipinski's Rule of Five
Molar Refractivity 104.55
Topological Polar Surface Area 46.61
Polarizability 39.59
Ring Count 3
Rotatable Bond Count 4

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H11Cl2NO3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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