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3-(3-methylbenzoyl)-1-[4-(phenylamino)phenyl]thiourea

3-(3-methylbenzoyl)-1-[4-(phenylamino)phenyl]thiourea

Formula: C21H19N3OS

SMILES: CC1=CC(=CC=C1)C(=O)NC(=S)NC1=CC=C(NC2=CC=CC=C2)C=C1

IUPAC: 3-(3-methylbenzoyl)-1-[4-(phenylamino)phenyl]thiourea

InChI: InChI=1S/C21H19N3OS/c1-15-6-5-7-16(14-15)20(25)24-21(26)23-19-12-10-18(11-13-19)22-17-8-3-2-4-9-17/h2-14,22H,1H3,(H2,23,24,25,26)

Composition: C (69.78%), H (5.30%), N (11.63%), O (4.43%), S (8.87%)

Molar Mass: 361.46

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 361.124883418
Formal Charge 0
FSP3 0.05
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey TTWFPVQVWFDUSA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 111.35
Topological Polar Surface Area 53.16
Polarizability 41.7
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H19N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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