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(5E)-5-({4-[3-(4-tert-butylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-({4-[3-(4-tert-butylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C27H31NO4S2

SMILES: COC1=CC(C=C2SC(=S)N(CC=C)C2=O)=CC=C1OCCCOC1=CC=C(C=C1)C(C)(C)C

IUPAC: (5E)-5-({4-[3-(4-tert-butylphenoxy)propoxy]-3-methoxyphenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C27H31NO4S2/c1-6-14-28-25(29)24(34-26(28)33)18-19-8-13-22(23(17-19)30-5)32-16-7-15-31-21-11-9-20(10-12-21)27(2,3)4/h6,8-13,17-18H,1,7,14-16H2,2-5H3/b24-18+

Composition: C (65.16%), H (6.28%), N (2.81%), O (12.86%), S (12.88%)

Molar Mass: 497.67

Atom Count: 65

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 497.16945083
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VSQLMLZCIGOUKF-HKOYGPOVSA-N
Lipinski's Rule of Five
Molar Refractivity 145.28
Topological Polar Surface Area 48
Polarizability 56.04
Ring Count 3
Rotatable Bond Count 11

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H31NO4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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