Home Other Building Blocks 1,3-benzothiazol-2-yl(phenyl)methanamine

1,3-benzothiazol-2-yl(phenyl)methanamine

CAS No.:
1629-68-1
Catalog Number:
AG01DVSD
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
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Product Description
Catalog Number:
AG01DVSD
Chemical Name:
1,3-benzothiazol-2-yl(phenyl)methanamine
CAS Number:
1629-68-1
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
MDL Number:
MFCD09927635
IUPAC Name:
1,3-benzothiazol-2-yl(phenyl)methanamine
InChI:
InChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2
InChI Key:
LCUXOKKXLIBQKQ-UHFFFAOYSA-N
SMILES:
NC(c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties