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4-chloro-2-{[(4-methylphenyl)methyl]amino}-1,3-thiazole-5-carbonitrile

4-chloro-2-{[(4-methylphenyl)methyl]amino}-1,3-thiazole-5-carbonitrile

CAS: 866155-95-5

Formula: C12H10ClN3S

SMILES: CC1=CC=C(CNC2=NC(Cl)=C(S2)C#N)C=C1

IUPAC: 4-chloro-2-{[(4-methylphenyl)methyl]amino}-1,3-thiazole-5-carbonitrile

InChI: InChI=1S/C12H10ClN3S/c1-8-2-4-9(5-3-8)7-15-12-16-11(13)10(6-14)17-12/h2-5H,7H2,1H3,(H,15,16)

Composition: C (54.65%), H (3.82%), Cl (13.44%), N (15.93%), S (12.16%)

Molar Mass: 263.74

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 263.0283962
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QMRKMASNJZQATL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.96
Topological Polar Surface Area 48.71
Polarizability 26.27
Ring Count 2
Rotatable Bond Count 3

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90% <2 Days 866155-95-5 $51.35-$86.31$51.35$63.37$86.31
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