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2-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanoic acid

2-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanoic acid

CAS: 355808-93-4

Formula: C10H13NO2S

SMILES: CC(SCCC1=NC=CC=C1)C(O)=O

IUPAC: 2-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanoic acid

InChI: InChI=1/C10H13NO2S/c1-8(10(12)13)14-7-5-9-4-2-3-6-11-9/h2-4,6,8H,5,7H2,1H3,(H,12,13)

Composition: C (56.85%), H (6.20%), N (6.63%), O (15.14%), S (15.17%)

Molar Mass: 211.28

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 211.066699837
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KGXMQKHBWDSVNQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.3
Topological Polar Surface Area 50.19
Polarizability 22.14
Ring Count 1
Rotatable Bond Count 5

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95% <2 Days 355808-93-4 $404.27$404.27
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