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(5Z)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C20H19BrN2OS2

SMILES: CCC1=CC=C(C=C1)N1C(=S)SC(=C/C2=CC=C(N(C)C)C(Br)=C2)C1=O

IUPAC: (5Z)-5-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C20H19BrN2OS2/c1-4-13-5-8-15(9-6-13)23-19(24)18(26-20(23)25)12-14-7-10-17(22(2)3)16(21)11-14/h5-12H,4H2,1-3H3/b18-12-

Composition: C (53.69%), H (4.28%), Br (17.86%), N (6.26%), O (3.58%), S (14.33%)

Molar Mass: 447.41

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 446.012219
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KBCZWWGBSPRERS-PDGQHHTCSA-N
Lipinski's Rule of Five
Molar Refractivity 120.58
Topological Polar Surface Area 23.55
Polarizability 45.16
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 C20H19BrN2OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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