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(5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

Formula: C16H17NO4S2

SMILES: COC1=C(OC)C(OC)=C(C=C2SC(=S)N(CC=C)C2=O)C=C1

IUPAC: (5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

InChI: InChI=1S/C16H17NO4S2/c1-5-8-17-15(18)12(23-16(17)22)9-10-6-7-11(19-2)14(21-4)13(10)20-3/h5-7,9H,1,8H2,2-4H3/b12-9+

Composition: C (54.68%), H (4.88%), N (3.99%), O (18.21%), S (18.25%)

Molar Mass: 351.44

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 351.059900379
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey GMHYSEBMJZODHQ-FMIVXFBMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.66
Topological Polar Surface Area 48
Polarizability 37.32
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H17NO4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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