Home Other Building Blocks 1-benzylpiperidine-4-carbothioamide

1-benzylpiperidine-4-carbothioamide

CAS No.:
1181985-95-4
Catalog Number:
AG01DYGO
Molecular Formula:
C13H18N2S
Molecular Weight:
234.3604
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Product Description
Catalog Number:
AG01DYGO
Chemical Name:
1-benzylpiperidine-4-carbothioamide
CAS Number:
1181985-95-4
Molecular Formula:
C13H18N2S
Molecular Weight:
234.3604
MDL Number:
MFCD11918623
IUPAC Name:
1-benzylpiperidine-4-carbothioamide
InChI:
InChI=1S/C13H18N2S/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,14,16)
InChI Key:
TUMNFXQIASNCMJ-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCN(CC1)Cc1ccccc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.119g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.361g/mol
Monoisotopic Mass:
234.119g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties