Home Carboxys tert-butyl3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate

tert-butyl3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate

CAS No.:
1520084-10-9
Catalog Number:
AG00HXXE
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
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Product Description
Catalog Number:
AG00HXXE
Chemical Name:
tert-butyl3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate
CAS Number:
1520084-10-9
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
MDL Number:
MFCD28501539
IUPAC Name:
tert-butyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate
InChI:
InChI=1S/C10H17NO2S/c1-10(2,3)13-9(12)11-7-4-8(11)6-14-5-7/h7-8H,4-6H2,1-3H3
InChI Key:
NDDRKVOFPUVRFU-UHFFFAOYSA-N
SMILES:
O=C(N1C2CSCC1C2)OC(C)(C)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.098g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.311g/mol
Monoisotopic Mass:
215.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties