Home Carboxys tert-Butyl 3-mercaptopyrrolidine-1-carboxylate

tert-Butyl 3-mercaptopyrrolidine-1-carboxylate

CAS No.:
371240-66-3
Catalog Number:
AG003A9M
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
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Product Description
Catalog Number:
AG003A9M
Chemical Name:
tert-Butyl 3-mercaptopyrrolidine-1-carboxylate
CAS Number:
371240-66-3
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
MDL Number:
MFCD16036704
IUPAC Name:
tert-butyl 3-sulfanylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-5-4-7(13)6-10/h7,13H,4-6H2,1-3H3
InChI Key:
QZVCJLUVFPPQLX-UHFFFAOYSA-N
SMILES:
SC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties