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methyl 2-[(5Z)-3-methyl-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylideneimidazolidin-1-yl]acetate

methyl 2-[(5Z)-3-methyl-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylideneimidazolidin-1-yl]acetate

Formula: C16H16N2O3S

SMILES: COC(=O)CN1C(=S)N(C)C(=O)C1=CC=CC1=CC=CC=C1

IUPAC: methyl 2-[(5Z)-3-methyl-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylideneimidazolidin-1-yl]acetate

InChI: InChI=1S/C16H16N2O3S/c1-17-15(20)13(18(16(17)22)11-14(19)21-2)10-6-9-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3/b9-6+,13-10-

Composition: C (60.74%), H (5.10%), N (8.85%), O (15.17%), S (10.13%)

Molar Mass: 316.38

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 316.088163557
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JJBJCCPGOKLNBX-AWTKBBGNSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.68
Topological Polar Surface Area 49.85
Polarizability 34.08
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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