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122684-35-9

122684-35-9 | 1-Pyrrolidinecarboxylic acid, 3-(aminothioxomethyl)-, 1,1-dimethylethyl ester

CAS No: 122684-35-9 Catalog No: AG0017N9 MDL No:MFCD03791259

Product Description

Catalog Number:
AG0017N9
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(aminothioxomethyl)-, 1,1-dimethylethyl ester
CAS Number:
122684-35-9
Molecular Formula:
C10H18N2O2S
Molecular Weight:
230.3271
MDL Number:
MFCD03791259
IUPAC Name:
tert-butyl 3-carbamothioylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-5-4-7(6-12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)
InChI Key:
FKLPAGOTHFVRLL-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCN(C1)C(=O)OC(C)(C)C

Properties

Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.109g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.326g/mol
Monoisotopic Mass:
230.109g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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