Home Nitriles 2-Thiazoleacetonitrile, 4-(4-methylphenyl)-

2-Thiazoleacetonitrile, 4-(4-methylphenyl)-

CAS No.:
250579-91-0
Catalog Number:
AG002QAL
Molecular Formula:
C12H10N2S
Molecular Weight:
214.2862
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Product Description
Catalog Number:
AG002QAL
Chemical Name:
2-Thiazoleacetonitrile, 4-(4-methylphenyl)-
CAS Number:
250579-91-0
Molecular Formula:
C12H10N2S
Molecular Weight:
214.2862
MDL Number:
MFCD00728029
IUPAC Name:
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C12H10N2S/c1-9-2-4-10(5-3-9)11-8-15-12(14-11)6-7-13/h2-5,8H,6H2,1H3
InChI Key:
YMRPDXAXRLGWDN-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccc(cc1)C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.286g/mol
Monoisotopic Mass:
214.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties