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2-[5-(furan-2-carbonyl)thiophen-2-yl]acetonitrile

2-[5-(furan-2-carbonyl)thiophen-2-yl]acetonitrile

CAS: 339099-07-9

Formula: C11H7NO2S

SMILES: O=C(C1=CC=CO1)C1=CC=C(CC#N)S1

IUPAC: 2-[5-(furan-2-carbonyl)thiophen-2-yl]acetonitrile

InChI: InChI=1S/C11H7NO2S/c12-6-5-8-3-4-10(15-8)11(13)9-2-1-7-14-9/h1-4,7H,5H2

Composition: C (60.82%), H (3.25%), N (6.45%), O (14.73%), S (14.76%)

Molar Mass: 217.24

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 217.019749643
Formal Charge 0
FSP3 0.09
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SXTQQHWWAHIESA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.99
Topological Polar Surface Area 54
Polarizability 21.08
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339099-07-9 $51.35-$524.40$51.35$63.37$86.31$524.40
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