Home Nitriles 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile

2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile

CAS No.:
941041-83-4
Catalog Number:
AG019KK9
Molecular Formula:
C7H9N3S
Molecular Weight:
167.2315
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Product Description
Catalog Number:
AG019KK9
Chemical Name:
2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile
CAS Number:
941041-83-4
Molecular Formula:
C7H9N3S
Molecular Weight:
167.2315
MDL Number:
MFCD09403619
IUPAC Name:
2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile
InChI:
InChI=1S/C7H9N3S/c1-10(2)7-9-6(3-4-8)5-11-7/h5H,3H2,1-2H3
InChI Key:
BKOZAPBDIGYVCW-UHFFFAOYSA-N
SMILES:
CN(c1scc(n1)CC#N)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.23g/mol
Monoisotopic Mass:
167.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties