Home Carboxys Benzyl 3-carbamothioylpiperidine-1-carboxylate

Benzyl 3-carbamothioylpiperidine-1-carboxylate

CAS No.:
569348-15-8
Catalog Number:
AG003BF9
Molecular Formula:
C14H18N2O2S
Molecular Weight:
278.3699
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Product Description
Catalog Number:
AG003BF9
Chemical Name:
Benzyl 3-carbamothioylpiperidine-1-carboxylate
CAS Number:
569348-15-8
Molecular Formula:
C14H18N2O2S
Molecular Weight:
278.3699
MDL Number:
MFCD11223487
IUPAC Name:
benzyl 3-carbamothioylpiperidine-1-carboxylate
InChI:
InChI=1S/C14H18N2O2S/c15-13(19)12-7-4-8-16(9-12)14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,19)
InChI Key:
AOYXSKQMDOWLIA-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.109g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.37g/mol
Monoisotopic Mass:
278.109g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties