Home Nitriles 2-[(2,5-dimethylphenyl)sulfanyl]acetonitrile

2-[(2,5-dimethylphenyl)sulfanyl]acetonitrile

CAS No.:
103575-52-6
Catalog Number:
AG019IL4
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
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Product Description
Catalog Number:
AG019IL4
Chemical Name:
2-[(2,5-dimethylphenyl)sulfanyl]acetonitrile
CAS Number:
103575-52-6
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD04622354
IUPAC Name:
2-(2,5-dimethylphenyl)sulfanylacetonitrile
InChI:
InChI=1S/C10H11NS/c1-8-3-4-9(2)10(7-8)12-6-5-11/h3-4,7H,6H2,1-2H3
InChI Key:
JFYIMXQRDDHBFY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1SCC#N)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties