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methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-sulfanylpropanoate

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-sulfanylpropanoate

CAS: 133904-67-3

Formula: C9H17NO4S

SMILES: COC(=O)[C@@H](CS)NC(=O)OC(C)(C)C

IUPAC: methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-sulfanylpropanoate

InChI: InChI=1S/C9H17NO4S/c1-9(2,3)14-8(12)10-6(5-15)7(11)13-4/h6,15H,5H2,1-4H3,(H,10,12)/t6-/m1/s1

Composition: C (45.94%), H (7.28%), N (5.95%), O (27.20%), S (13.63%)

Molar Mass: 235.3

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 235.087829205
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NJGIAKIPSDCYAC-ZCFIWIBFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.87
Topological Polar Surface Area 64.63
Polarizability 23.11
Ring Count 0
Rotatable Bond Count 6

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95% <5 Days 133904-67-3 $1,034.00$1,034.00
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