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N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-3-nitropyridin-2-amine

N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-3-nitropyridin-2-amine

CAS: 861207-42-3

Formula: C17H16N4O2S

SMILES: CC1=CC=C(C=C1)C1=NC(CCNC2=NC=CC=C2[N+]([O-])=O)=CS1

IUPAC: N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-3-nitropyridin-2-amine

InChI: InChI=1S/C17H16N4O2S/c1-12-4-6-13(7-5-12)17-20-14(11-24-17)8-10-19-16-15(21(22)23)3-2-9-18-16/h2-7,9,11H,8,10H2,1H3,(H,18,19)

Composition: C (59.98%), H (4.74%), N (16.46%), O (9.40%), S (9.42%)

Molar Mass: 340.4

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 340.099396945
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SSTVPKMWYMEYQI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.87
Topological Polar Surface Area 80.95
Polarizability 35.45
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 861207-42-3 $51.35-$86.31$51.35$63.37$86.31
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