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6974-52-3 | 4-Thiazoleacetonitrile,5-methyl-a,a-diphenyl-
CAS No: 6974-52-3 Catalog No: AG005I9S MDL No:
Product Description
Catalog Number:
AG005I9S
Chemical Name:
4-Thiazoleacetonitrile,5-methyl-a,a-diphenyl-
CAS Number:
6974-52-3
Molecular Formula:
C18H14N2S
Molecular Weight:
290.3822
IUPAC Name:
2-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
InChI:
InChI=1S/C18H14N2S/c1-14-17(20-13-21-14)18(12-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13H,1H3
InChI Key:
YSRSDZZYKLSIJT-UHFFFAOYSA-N
SMILES:
N#CC(c1ncsc1C)(c1ccccc1)c1ccccc1
NSC Number:
23830
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.384g/mol
Monoisotopic Mass:
290.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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