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(5Z)-3-ethyl-5-{2-[(2E)-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]ethylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-ethyl-5-{2-[(2E)-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]ethylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C18H20N2OS3

SMILES: CCN1C(=S)SC(=C/C=C2/SCCN2CCC2=CC=CC=C2)C1=O

IUPAC: (5Z)-3-ethyl-5-{2-[(2E)-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]ethylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C18H20N2OS3/c1-2-20-17(21)15(24-18(20)22)8-9-16-19(12-13-23-16)11-10-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3/b15-8-,16-9+

Composition: C (57.42%), H (5.35%), N (7.44%), O (4.25%), S (25.54%)

Molar Mass: 376.55

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 376.073776794
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VKSRNPAPESYEEW-IZKYPSLPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 121.77
Topological Polar Surface Area 23.55
Polarizability 42.39
Ring Count 3
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H20N2OS3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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