Home Other Building Blocks 4-benzylmorpholine-2-carbothioamide

4-benzylmorpholine-2-carbothioamide

CAS No.:
1240528-23-7
Catalog Number:
AG01A9PU
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
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Product Description
Catalog Number:
AG01A9PU
Chemical Name:
4-benzylmorpholine-2-carbothioamide
CAS Number:
1240528-23-7
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
MDL Number:
MFCD09953990
IUPAC Name:
4-benzylmorpholine-2-carbothioamide
InChI:
InChI=1S/C12H16N2OS/c13-12(16)11-9-14(6-7-15-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,16)
InChI Key:
CTMPIXXXJGQABE-UHFFFAOYSA-N
SMILES:
NC(=S)C1OCCN(C1)Cc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties