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3-[(tert-butoxycarbonyl)amino]thiolane-3-carboxylic acid

3-[(tert-butoxycarbonyl)amino]thiolane-3-carboxylic acid

CAS: 108329-86-8

Formula: C10H17NO4S

SMILES: CC(C)(C)OC(=O)NC1(CCSC1)C(O)=O

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}thiolane-3-carboxylic acid

InChI: InChI=1/C10H17NO4S/c1-9(2,3)15-8(14)11-10(7(12)13)4-5-16-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)

Composition: C (48.57%), H (6.93%), N (5.66%), O (25.88%), S (12.96%)

Molar Mass: 247.31

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 247.087829205
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BOUVNAQZJMDMLE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.66
Topological Polar Surface Area 75.63
Polarizability 24
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 108329-86-8 $150.65-$2,297.70$150.65$187.45$258.75$396.75$667.00$2,297.70
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