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3-(3-acetylphenyl)-1-benzylthiourea

3-(3-acetylphenyl)-1-benzylthiourea

Formula: C16H16N2OS

SMILES: CC(=O)C1=CC(NC(=S)NCC2=CC=CC=C2)=CC=C1

IUPAC: 3-(3-acetylphenyl)-1-benzylthiourea

InChI: InChI=1S/C16H16N2OS/c1-12(19)14-8-5-9-15(10-14)18-16(20)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H2,17,18,20)

Composition: C (67.58%), H (5.67%), N (9.85%), O (5.63%), S (11.27%)

Molar Mass: 284.38

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 284.098334317
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey XAPBCZWFZMYGDB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.5
Topological Polar Surface Area 41.13
Polarizability 33.07
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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