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(3S)-4-[(benzyloxy)carbonyl]thiomorpholine-3-carboxylic acid

(3S)-4-[(benzyloxy)carbonyl]thiomorpholine-3-carboxylic acid

CAS: 114580-19-7

Formula: C13H15NO4S

SMILES: OC(=O)[C@H]1CSCCN1C(=O)OCC1=CC=CC=C1

IUPAC: (3S)-4-[(benzyloxy)carbonyl]thiomorpholine-3-carboxylic acid

InChI: InChI=1S/C13H15NO4S/c15-12(16)11-9-19-7-6-14(11)13(17)18-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1

Composition: C (55.50%), H (5.37%), N (4.98%), O (22.75%), S (11.40%)

Molar Mass: 281.33

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.072179141
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HMXFICHATDLTHT-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.69
Topological Polar Surface Area 66.84
Polarizability 28.01
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 114580-19-7 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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