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methyl 3-(benzylsulfanyl)propanoate

methyl 3-(benzylsulfanyl)propanoate

CAS: 5331-36-2

Formula: C11H14O2S

SMILES: COC(=O)CCSCC1=CC=CC=C1

IUPAC: methyl 3-(benzylsulfanyl)propanoate

InChI: InChI=1S/C11H14O2S/c1-13-11(12)7-8-14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

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 KFRBVHFYLRIKNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.16
Topological Polar Surface Area 26.3
Polarizability 23.36
Ring Count 1
Rotatable Bond Count 6

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95% <5 Days 5331-36-2 $1,000.00-$1,960.00$1,000.00$1,420.00$1,960.00
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