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2-(quinoxalin-2-ylsulfanyl)propanoic acid

2-(quinoxalin-2-ylsulfanyl)propanoic acid

CAS: 187028-75-7

Formula: C11H10N2O2S

SMILES: CC(SC1=NC2=CC=CC=C2N=C1)C(O)=O

IUPAC: 2-(quinoxalin-2-ylsulfanyl)propanoic acid

InChI: InChI=1/C11H10N2O2S/c1-7(11(14)15)16-10-6-12-8-4-2-3-5-9(8)13-10/h2-7H,1H3,(H,14,15)

Composition: C (56.40%), H (4.30%), N (11.96%), O (13.66%), S (13.68%)

Molar Mass: 234.27

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 234.046298744
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BXEUQCFQLZLPFJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.25
Topological Polar Surface Area 63.08
Polarizability 25.15
Ring Count 2
Rotatable Bond Count 3

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90% <2 Days 187028-75-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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