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methyl 2-{[4-(furan-2-yl)pyrimidin-2-yl]sulfanyl}acetate

methyl 2-{[4-(furan-2-yl)pyrimidin-2-yl]sulfanyl}acetate

CAS: 692287-28-8

Formula: C11H10N2O3S

SMILES: COC(=O)CSC1=NC(=CC=N1)C1=CC=CO1

IUPAC: methyl 2-{[4-(furan-2-yl)pyrimidin-2-yl]sulfanyl}acetate

InChI: InChI=1S/C11H10N2O3S/c1-15-10(14)7-17-11-12-5-4-8(13-11)9-3-2-6-16-9/h2-6H,7H2,1H3

Composition: C (52.79%), H (4.03%), N (11.19%), O (19.18%), S (12.81%)

Molar Mass: 250.27

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 250.041213364
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CIAKPGXEYHJCCY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.58
Topological Polar Surface Area 65.22
Polarizability 25.74
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 692287-28-8 $51.35-$86.31$51.35$63.37$86.31
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