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2-bromo-N-{[(3-chloro-2-methylphenyl)carbamothioyl]amino}benzamide

2-bromo-N-{[(3-chloro-2-methylphenyl)carbamothioyl]amino}benzamide

Formula: C15H13BrClN3OS

SMILES: CC1=C(Cl)C=CC=C1NC(=S)NNC(=O)C1=CC=CC=C1Br

IUPAC: 2-bromo-N-{[(3-chloro-2-methylphenyl)carbamothioyl]amino}benzamide

InChI: InChI=1S/C15H13BrClN3OS/c1-9-12(17)7-4-8-13(9)18-15(22)20-19-14(21)10-5-2-3-6-11(10)16/h2-8H,1H3,(H,19,21)(H2,18,20,22)

Composition: C (45.19%), H (3.29%), Br (20.04%), Cl (8.89%), N (10.54%), O (4.01%), S (8.04%)

Molar Mass: 398.7

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 396.965124
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 3
InChIKey QMFBXWIXGZLCON-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.59
Topological Polar Surface Area 53.16
Polarizability 36.71
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H13BrClN3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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