Home Nitriles 4-[(methylsulfanyl)methyl]benzonitrile

4-[(methylsulfanyl)methyl]benzonitrile

CAS No.:
168028-51-1
Catalog Number:
AG019UXU
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
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Product Description
Catalog Number:
AG019UXU
Chemical Name:
4-[(methylsulfanyl)methyl]benzonitrile
CAS Number:
168028-51-1
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD11858025
IUPAC Name:
4-(methylsulfanylmethyl)benzonitrile
InChI:
InChI=1S/C9H9NS/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3
InChI Key:
HBUUNKROVWMKDI-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)C#N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties