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ethyl 2-[(4-methylphenyl)sulfanyl]acetate

ethyl 2-[(4-methylphenyl)sulfanyl]acetate

CAS: 14738-27-3

Formula: C11H14O2S

SMILES: CCOC(=O)CSC1=CC=C(C)C=C1

IUPAC: ethyl 2-[(4-methylphenyl)sulfanyl]acetate

InChI: InChI=1S/C11H14O2S/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

Composition: C (62.83%), H (6.71%), O (15.22%), S (15.25%)

Molar Mass: 210.29

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.071450865
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RJBCLDCLOCANCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.61
Topological Polar Surface Area 26.3
Polarizability 23.27
Ring Count 1
Rotatable Bond Count 5

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