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methyl 3-(1,1-dioxo-1??-thiomorpholin-4-yl)benzoate

methyl 3-(1,1-dioxo-1??-thiomorpholin-4-yl)benzoate

CAS: 900015-34-1

Formula: C12H15NO4S

SMILES: COC(=O)C1=CC=CC(=C1)N1CCS(=O)(=O)CC1

IUPAC: methyl 3-(1,1-dioxo-1??-thiomorpholin-4-yl)benzoate

InChI: InChI=1S/C12H15NO4S/c1-17-12(14)10-3-2-4-11(9-10)13-5-7-18(15,16)8-6-13/h2-4,9H,5-8H2,1H3

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 4
Hydrogen Bond Donor Count 0
InChIKey CJSAGXXCWIJTDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.11
Topological Polar Surface Area 63.68
Polarizability 26.75
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 900015-34-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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