Home Carboxys tert-butyl 3-(acetylsulfanyl)pyrrolidine-1-carboxylate

tert-butyl 3-(acetylsulfanyl)pyrrolidine-1-carboxylate

CAS No.:
371240-67-4
Catalog Number:
AG01BBWO
Molecular Formula:
C11H19NO3S
Molecular Weight:
245.3385
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Product Description
Catalog Number:
AG01BBWO
Chemical Name:
tert-butyl 3-(acetylsulfanyl)pyrrolidine-1-carboxylate
CAS Number:
371240-67-4
Molecular Formula:
C11H19NO3S
Molecular Weight:
245.3385
MDL Number:
MFCD24467205
IUPAC Name:
tert-butyl 3-acetylsulfanylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19NO3S/c1-8(13)16-9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3
InChI Key:
KYLJPUGKGHFDOL-UHFFFAOYSA-N
SMILES:
CC(=O)SC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.109g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.337g/mol
Monoisotopic Mass:
245.109g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties