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methyl 2-{[(tert-butoxycarbonyl)amino]methyl}-1,3-thiazole-4-carboxylate

methyl 2-{[(tert-butoxycarbonyl)amino]methyl}-1,3-thiazole-4-carboxylate

CAS: 297165-32-3

Formula: C11H16N2O4S

SMILES: COC(=O)C1=CSC(CNC(=O)OC(C)(C)C)=N1

IUPAC: methyl 2-({[(tert-butoxy)carbonyl]amino}methyl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)12-5-8-13-7(6-18-8)9(14)16-4/h6H,5H2,1-4H3,(H,12,15)

Composition: C (48.52%), H (5.92%), N (10.29%), O (23.50%), S (11.77%)

Molar Mass: 272.32

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 272.083078177
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GHFPRZQFLHMIEE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.59
Topological Polar Surface Area 77.52
Polarizability 25.64
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 297165-32-3 $206.39-$707.62$206.39$353.81$707.62
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