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Home > Imidazoles > 320423-14-1
320423-14-1 | (2Z)-3-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-2-phenylprop-2-enenitrile
CAS No: 320423-14-1 Catalog No: AG00IQCW MDL No:MFCD01315699
Product Description
Catalog Number:
AG00IQCW
Chemical Name:
(2Z)-3-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-2-phenylprop-2-enenitrile
CAS Number:
320423-14-1
Molecular Formula:
C15H15N3S
Molecular Weight:
269.3647
MDL Number:
MFCD01315699
IUPAC Name:
3-(2-ethylsulfanyl-3-methylimidazol-4-yl)-2-phenylprop-2-enenitrile
InChI:
InChI=1S/C15H15N3S/c1-3-19-15-17-11-14(18(15)2)9-13(10-16)12-7-5-4-6-8-12/h4-9,11H,3H2,1-2H3
InChI Key:
VGTIRHAGJYWSDG-UHFFFAOYSA-N
SMILES:
CCSc1ncc(n1C)/C=C(/c1ccccc1)\C#N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.366g/mol
Monoisotopic Mass:
269.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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