Home Carboxys ethyl 4-(carbamothioylamino)piperidine-1-carboxylate

ethyl 4-(carbamothioylamino)piperidine-1-carboxylate

CAS No.:
294622-57-4
Catalog Number:
AG019UBA
Molecular Formula:
C9H17N3O2S
Molecular Weight:
231.3152
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Product Description
Catalog Number:
AG019UBA
Chemical Name:
ethyl 4-(carbamothioylamino)piperidine-1-carboxylate
CAS Number:
294622-57-4
Molecular Formula:
C9H17N3O2S
Molecular Weight:
231.3152
MDL Number:
MFCD09932791
IUPAC Name:
ethyl 4-(carbamothioylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C9H17N3O2S/c1-2-14-9(13)12-5-3-7(4-6-12)11-8(10)15/h7H,2-6H2,1H3,(H3,10,11,15)
InChI Key:
BPCZINMJOTUUOC-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)NC(=S)N
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.104g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.314g/mol
Monoisotopic Mass:
231.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties