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4-[(1,1-dioxo-1??-thiomorpholin-4-yl)methyl]benzoic acid

4-[(1,1-dioxo-1??-thiomorpholin-4-yl)methyl]benzoic acid

CAS: 465514-21-0

Formula: C12H15NO4S

SMILES: OC(=O)C1=CC=C(CN2CCS(=O)(=O)CC2)C=C1

IUPAC: 4-[(1,1-dioxo-1??-thiomorpholin-4-yl)methyl]benzoic acid

InChI: InChI=1S/C12H15NO4S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-18(16,17)8-6-13/h1-4H,5-9H2,(H,14,15)

Composition: C (53.52%), H (5.61%), N (5.20%), O (23.76%), S (11.90%)

Molar Mass: 269.32

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.072179141
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey HMVAVIKQXATKEL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.46
Topological Polar Surface Area 74.68
Polarizability 26.88
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 465514-21-0 $610.00-$7,390.00$610.00$1,860.00$7,390.00
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