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90447-60-2

90447-60-2 | Ethanone, 1-[3-(1H-imidazol-1-ylmethyl)-2-thienyl]-

CAS No: 90447-60-2 Catalog No: AG006DTI MDL No:

Product Description

Catalog Number:
AG006DTI
Chemical Name:
Ethanone, 1-[3-(1H-imidazol-1-ylmethyl)-2-thienyl]-
CAS Number:
90447-60-2
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
IUPAC Name:
1-[3-(imidazol-1-ylmethyl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C10H10N2OS/c1-8(13)10-9(2-5-14-10)6-12-4-3-11-7-12/h2-5,7H,6H2,1H3
InChI Key:
ACYWFSXCHFCUGJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1sccc1Cn1cncc1

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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