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3-(tert-butoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid

3-(tert-butoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid

CAS: 141783-63-3

Formula: C9H15NO4S

SMILES: CC(C)(C)OC(=O)N1CCSC1C(O)=O

IUPAC: 3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-2-carboxylic acid

InChI: InChI=1/C9H15NO4S/c1-9(2,3)14-8(13)10-4-5-15-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)

Composition: C (46.34%), H (6.48%), N (6.00%), O (27.43%), S (13.74%)

Molar Mass: 233.28

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 233.072179141
Formal Charge 0
FSP3 0.78
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HYAXPNDMEODKHI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.98
Topological Polar Surface Area 66.84
Polarizability 22.18
Ring Count 1
Rotatable Bond Count 3

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95% <2 Days 141783-63-3 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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95% <6 Days 141783-63-3 $124.20-$1,176.45$124.20$393.30$1,176.45
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