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

tert-Butyl 3-carbamothioylpiperidine-1-carboxylate

CAS No.:
274682-80-3
Catalog Number:
AG007KO6
Molecular Formula:
C11H20N2O2S
Molecular Weight:
244.3537
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Product Description
Catalog Number:
AG007KO6
Chemical Name:
tert-Butyl 3-carbamothioylpiperidine-1-carboxylate
CAS Number:
274682-80-3
Molecular Formula:
C11H20N2O2S
Molecular Weight:
244.3537
MDL Number:
MFCD10700060
IUPAC Name:
tert-butyl 3-carbamothioylpiperidine-1-carboxylate
InChI:
InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-5-8(7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
InChI Key:
ZCELPXRDWJCIJE-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.125g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.353g/mol
Monoisotopic Mass:
244.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties