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N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-1,3-thiazol-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-1,3-thiazol-2-amine

CAS: 2007920-92-3

Formula: C12H13FN2O2S

SMILES: COC1=CC(OC)=C(CNC2=NC=C(F)S2)C=C1

IUPAC: N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-1,3-thiazol-2-amine

InChI: InChI=1S/C12H13FN2O2S/c1-16-9-4-3-8(10(5-9)17-2)6-14-12-15-7-11(13)18-12/h3-5,7H,6H2,1-2H3,(H,14,15)

Composition: C (53.72%), H (4.88%), F (7.08%), N (10.44%), O (11.93%), S (11.95%)

Molar Mass: 268.31

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.068177004
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RFPVMLIIPGNCFR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.85
Topological Polar Surface Area 43.38
Polarizability 25.48
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 2007920-92-3 $204.12-$2,130.79$204.12$340.20$852.31$2,130.79
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