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tert-butyl N-[(3R,4S)-4-amino-1,1-dioxo-1??-thiolan-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-amino-1,1-dioxo-1??-thiolan-3-yl]carbamate

CAS: 1903431-97-9

Formula: C9H18N2O4S

SMILES: CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N

IUPAC: tert-butyl N-[(3R,4S)-4-amino-1,1-dioxo-1??-thiolan-3-yl]carbamate

InChI: InChI=1S/C9H18N2O4S/c1-9(2,3)15-8(12)11-7-5-16(13,14)4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m1/s1

Composition: C (43.19%), H (7.25%), N (11.19%), O (25.57%), S (12.81%)

Molar Mass: 250.31

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 250.098728242
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NNDORIZWDLLHLJ-RQJHMYQMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.68
Topological Polar Surface Area 98.49
Polarizability 24.29
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1903431-97-9 $285.20-$3,248.75$285.20$3,248.75
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