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(3S)-4-(tert-butoxycarbonyl)thiomorpholine-3-carboxylic acid

(3S)-4-(tert-butoxycarbonyl)thiomorpholine-3-carboxylic acid

CAS: 1187929-84-5

Formula: C10H17NO4S

SMILES: CC(C)(C)OC(=O)N1CCSC[C@@H]1C(O)=O

IUPAC: (3S)-4-[(tert-butoxy)carbonyl]thiomorpholine-3-carboxylic acid

InChI: InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-4-5-16-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1

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 1
InChIKey CTDIKDIZNAGMFK-SSDOTTSWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.88
Topological Polar Surface Area 66.84
Polarizability 24
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1187929-84-5 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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