Home Nitriles 4-benzylthiomorpholine-3-carbonitrile

4-benzylthiomorpholine-3-carbonitrile

CAS No.:
1798765-27-1
Catalog Number:
AG01BDTZ
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
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Product Description
Catalog Number:
AG01BDTZ
Chemical Name:
4-benzylthiomorpholine-3-carbonitrile
CAS Number:
1798765-27-1
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD28063908
IUPAC Name:
4-benzylthiomorpholine-3-carbonitrile
InChI:
InChI=1S/C12H14N2S/c13-8-12-10-15-7-6-14(12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChI Key:
UOBSMRXPIHLNOO-UHFFFAOYSA-N
SMILES:
N#CC1CSCCN1Cc1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties