Home Nitriles Acetonitrile, 2-[(phenylmethyl)thio]-

Acetonitrile, 2-[(phenylmethyl)thio]-

CAS No.:
17377-30-9
Catalog Number:
AG001Z6K
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
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Product Description
Catalog Number:
AG001Z6K
Chemical Name:
Acetonitrile, 2-[(phenylmethyl)thio]-
CAS Number:
17377-30-9
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00019834
IUPAC Name:
2-benzylsulfanylacetonitrile
InChI:
InChI=1S/C9H9NS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChI Key:
LMQUKUCRNPUBOF-UHFFFAOYSA-N
SMILES:
N#CCSCc1ccccc1
Properties
Complexity:
141  
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:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties