Home Nitriles 2-Thiazoleacetonitrile, -alpha--methyl-

2-Thiazoleacetonitrile, -alpha--methyl-

CAS No.:
101010-75-7
Catalog Number:
AG009RWS
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
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Product Description
Catalog Number:
AG009RWS
Chemical Name:
2-Thiazoleacetonitrile, -alpha--methyl-
CAS Number:
101010-75-7
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
MDL Number:
MFCD11869272
IUPAC Name:
2-(1,3-thiazol-2-yl)propanenitrile
InChI:
InChI=1S/C6H6N2S/c1-5(4-7)6-8-2-3-9-6/h2-3,5H,1H3
InChI Key:
DMXBCOHFUITRSM-UHFFFAOYSA-N
SMILES:
N#CC(c1nccs1)C
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.188g/mol
Monoisotopic Mass:
138.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties