Home Nitriles 4-(1,3-thiazolidin-2-yl)benzonitrile

4-(1,3-thiazolidin-2-yl)benzonitrile

CAS No.:
90595-44-1
Catalog Number:
AG01AD4E
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
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Product Description
Catalog Number:
AG01AD4E
Chemical Name:
4-(1,3-thiazolidin-2-yl)benzonitrile
CAS Number:
90595-44-1
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD16685172
IUPAC Name:
4-(1,3-thiazolidin-2-yl)benzonitrile
InChI:
InChI=1S/C10H10N2S/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10,12H,5-6H2
InChI Key:
BSLYORCAGNIGOR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1NCCS1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties