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3-[(E)-(1H-indol-3-ylmethylidene)amino]-1-(3-methylphenyl)thiourea

3-[(E)-(1H-indol-3-ylmethylidene)amino]-1-(3-methylphenyl)thiourea

Formula: C17H16N4S

SMILES: CC1=CC(NC(=S)NN=CC2=CNC3=CC=CC=C23)=CC=C1

IUPAC: 3-[(E)-[(1H-indol-3-yl)methylidene]amino]-1-(3-methylphenyl)thiourea

InChI: InChI=1S/C17H16N4S/c1-12-5-4-6-14(9-12)20-17(22)21-19-11-13-10-18-16-8-3-2-7-15(13)16/h2-11,18H,1H3,(H2,20,21,22)/b19-11+

Composition: C (66.21%), H (5.23%), N (18.17%), S (10.40%)

Molar Mass: 308.4

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 308.109567705
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 3
InChIKey CSXGKNYVJLTPOJ-YBFXNURJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.82
Topological Polar Surface Area 52.21
Polarizability 37.09
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16N4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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