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3-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(thiophen-2-yl)propanoic acid

3-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(thiophen-2-yl)propanoic acid

CAS: 885951-51-9

Formula: C11H15NO4S2

SMILES: OC(=O)CC(N1CCS(=O)(=O)CC1)C1=CC=CS1

IUPAC: 3-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(thiophen-2-yl)propanoic acid

InChI: InChI=1/C11H15NO4S2/c13-11(14)8-9(10-2-1-5-17-10)12-3-6-18(15,16)7-4-12/h1-2,5,9H,3-4,6-8H2,(H,13,14)

Composition: C (45.66%), H (5.23%), N (4.84%), O (22.12%), S (22.16%)

Molar Mass: 289.36

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 289.044250315
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey AYLHMGNHUYIQFB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.55
Topological Polar Surface Area 74.68
Polarizability 27.48
Ring Count 2
Rotatable Bond Count 4

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 885951-51-9 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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