Home Other Building Blocks tert-butyl N-[1-(carbamothioylmethyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(carbamothioylmethyl)piperidin-4-yl]carbamate

CAS No.:
1269152-55-7
Catalog Number:
AG01AGT5
Molecular Formula:
C12H23N3O2S
Molecular Weight:
273.3949
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Product Description
Catalog Number:
AG01AGT5
Chemical Name:
tert-butyl N-[1-(carbamothioylmethyl)piperidin-4-yl]carbamate
CAS Number:
1269152-55-7
Molecular Formula:
C12H23N3O2S
Molecular Weight:
273.3949
MDL Number:
MFCD18380650
IUPAC Name:
tert-butyl N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C12H23N3O2S/c1-12(2,3)17-11(16)14-9-4-6-15(7-5-9)8-10(13)18/h9H,4-8H2,1-3H3,(H2,13,18)(H,14,16)
InChI Key:
FFBXGQRKTUFOBS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)CC(=S)N
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.151g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.395g/mol
Monoisotopic Mass:
273.151g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties