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ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate

ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate

CAS: 1396979-03-5

Formula: C13H17NO4S

SMILES: CCOC(=O)C(CS)NC(=O)OCC1=CC=CC=C1

IUPAC: ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate

InChI: InChI=1/C13H17NO4S/c1-2-17-12(15)11(9-19)14-13(16)18-8-10-6-4-3-5-7-10/h3-7,11,19H,2,8-9H2,1H3,(H,14,16)

Composition: C (55.11%), H (6.05%), N (4.94%), O (22.59%), S (11.31%)

Molar Mass: 283.34

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 283.087829205
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey IWZJZGRUIZUKJJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.42
Topological Polar Surface Area 64.63
Polarizability 28.97
Ring Count 1
Rotatable Bond Count 8

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1396979-03-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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