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ethyl 2-(thiomorpholin-4-yl)acetate

ethyl 2-(thiomorpholin-4-yl)acetate

CAS: 39981-80-1

Formula: C8H15NO2S

SMILES: CCOC(=O)CN1CCSCC1

IUPAC: ethyl 2-(thiomorpholin-4-yl)acetate

InChI: InChI=1S/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3

Composition: C (50.77%), H (7.99%), N (7.40%), O (16.91%), S (16.94%)

Molar Mass: 189.27

Atom Count: 27

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 189.082349901
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OIOSZBXAWCXWPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.95
Topological Polar Surface Area 29.54
Polarizability 20.1
Ring Count 1
Rotatable Bond Count 4

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MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 39981-80-1 $202.14$202.14
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