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(4Z)-1-(3-chloro-4-methylphenyl)-4-[(5-methylthiophen-2-yl)methylidene]pyrazolidine-3,5-dione

(4Z)-1-(3-chloro-4-methylphenyl)-4-[(5-methylthiophen-2-yl)methylidene]pyrazolidine-3,5-dione

Formula: C16H13ClN2O2S

SMILES: CC1=CC=C(S1)C=C1C(=O)NN(C1=O)C1=CC=C(C)C(Cl)=C1

IUPAC: (4Z)-1-(3-chloro-4-methylphenyl)-4-[(5-methylthiophen-2-yl)methylidene]pyrazolidine-3,5-dione

InChI: InChI=1S/C16H13ClN2O2S/c1-9-3-5-11(7-14(9)17)19-16(21)13(15(20)18-19)8-12-6-4-10(2)22-12/h3-8H,1-2H3,(H,18,20)/b13-8-

Composition: C (57.74%), H (3.94%), Cl (10.65%), N (8.42%), O (9.61%), S (9.63%)

Molar Mass: 332.8

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 332.0386265
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WPWXNNZJNPSNSN-JYRVWZFOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.65
Topological Polar Surface Area 49.41
Polarizability 32.81
Ring Count 3
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13ClN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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