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(4E)-N-(2,6-dimethylphenyl)-1-(3-methylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

(4E)-N-(2,6-dimethylphenyl)-1-(3-methylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

Formula: C24H29N3S

SMILES: CSC1=NC(=NC2=C(C)C=CC=C2C)C2(CCCCC2)N1C1=CC=CC(C)=C1

IUPAC: (4E)-N-(2,6-dimethylphenyl)-1-(3-methylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

InChI: InChI=1S/C24H29N3S/c1-17-10-8-13-20(16-17)27-23(28-4)26-22(24(27)14-6-5-7-15-24)25-21-18(2)11-9-12-19(21)3/h8-13,16H,5-7,14-15H2,1-4H3/b25-22+

Composition: C (73.62%), H (7.47%), N (10.73%), S (8.19%)

Molar Mass: 391.58

Atom Count: 57

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 391.20821912
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CVMNVPYCYBBXNQ-YYDJUVGSSA-N
Lipinski's Rule of Five
Molar Refractivity 123.06
Topological Polar Surface Area 27.96
Polarizability 46.03
Ring Count 4
Rotatable Bond Count 3

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H29N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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