Home Nitriles 2-Methyl-2-(4-((phenylthio)methyl)phenyl)propanenitrile

2-Methyl-2-(4-((phenylthio)methyl)phenyl)propanenitrile

CAS No.:
1185311-16-3
Catalog Number:
AG00767V
Molecular Formula:
C17H17NS
Molecular Weight:
267.3886
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Product Description
Catalog Number:
AG00767V
Chemical Name:
2-Methyl-2-(4-((phenylthio)methyl)phenyl)propanenitrile
CAS Number:
1185311-16-3
Molecular Formula:
C17H17NS
Molecular Weight:
267.3886
MDL Number:
MFCD12761252
IUPAC Name:
2-methyl-2-[4-(phenylsulfanylmethyl)phenyl]propanenitrile
InChI:
InChI=1S/C17H17NS/c1-17(2,13-18)15-10-8-14(9-11-15)12-19-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChI Key:
XXGMJQMTZISMER-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)CSc1ccccc1)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.108g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.39g/mol
Monoisotopic Mass:
267.108g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties