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1-benzoyl-3-(quinolin-6-yl)thiourea

1-benzoyl-3-(quinolin-6-yl)thiourea

CAS: 866049-10-7

Formula: C17H13N3OS

SMILES: O=C(NC(=S)NC1=CC2=CC=CN=C2C=C1)C1=CC=CC=C1

IUPAC: 1-benzoyl-3-(quinolin-6-yl)thiourea

InChI: InChI=1S/C17H13N3OS/c21-16(12-5-2-1-3-6-12)20-17(22)19-14-8-9-15-13(11-14)7-4-10-18-15/h1-11H,(H2,19,20,21,22)

Composition: C (66.43%), H (4.26%), N (13.67%), O (5.21%), S (10.43%)

Molar Mass: 307.37

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 307.077933225
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey SAWCSOLPWGGICX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.75
Topological Polar Surface Area 54.02
Polarizability 35.84
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866049-10-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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