Home Carboxys tert-butyl 4-isothiocyanatopiperidine-1-carboxylate

tert-butyl 4-isothiocyanatopiperidine-1-carboxylate

CAS No.:
496954-55-3
Catalog Number:
AG01ACLK
Molecular Formula:
C11H18N2O2S
Molecular Weight:
242.3378
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Product Description
Catalog Number:
AG01ACLK
Chemical Name:
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate
CAS Number:
496954-55-3
Molecular Formula:
C11H18N2O2S
Molecular Weight:
242.3378
MDL Number:
MFCD22381502
IUPAC Name:
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O2S/c1-11(2,3)15-10(14)13-6-4-9(5-7-13)12-8-16/h9H,4-7H2,1-3H3
InChI Key:
NBTBCHWGKWWZDX-UHFFFAOYSA-N
SMILES:
S=C=NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.109g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.337g/mol
Monoisotopic Mass:
242.109g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties