Home Nitriles 4-(tert-butylsulfanyl)benzonitrile

4-(tert-butylsulfanyl)benzonitrile

CAS No.:
132555-38-5
Catalog Number:
AG01A189
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
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Product Description
Catalog Number:
AG01A189
Chemical Name:
4-(tert-butylsulfanyl)benzonitrile
CAS Number:
132555-38-5
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
MDL Number:
MFCD11136358
IUPAC Name:
4-tert-butylsulfanylbenzonitrile
InChI:
InChI=1S/C11H13NS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChI Key:
CJZBMYCTJNARBE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)SC(C)(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties