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3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide

3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide

Formula: C12H8ClFN2OS2

SMILES: FC1=CC=C2C(Cl)=C(SC2=C1)C(=O)NC1=NCCS1

IUPAC: 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17)

Composition: C (45.79%), H (2.56%), Cl (11.26%), F (6.04%), N (8.90%), O (5.08%), S (20.37%)

Molar Mass: 314.78

Atom Count: 27

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.9750611
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WIYIHXHWMONCNB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.95
Topological Polar Surface Area 41.46
Polarizability 29.61
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C12H8ClFN2OS2 $205.70-$1,047.20$205.70$327.25$654.50$1,047.20
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98% <10 Days C12H8ClFN2OS2 Quote Only
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