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ethyl 2-(pyridin-2-ylsulfanyl)acetate

ethyl 2-(pyridin-2-ylsulfanyl)acetate

CAS: 28856-92-0

Formula: C9H11NO2S

SMILES: CCOC(=O)CSC1=CC=CC=N1

IUPAC: ethyl 2-(pyridin-2-ylsulfanyl)acetate

InChI: InChI=1S/C9H11NO2S/c1-2-12-9(11)7-13-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3

Composition: C (54.80%), H (5.62%), N (7.10%), O (16.22%), S (16.25%)

Molar Mass: 197.25

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.051049772
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HSXSCFBUTNCJFR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.72
Topological Polar Surface Area 39.19
Polarizability 20.63
Ring Count 1
Rotatable Bond Count 5

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