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50541-32-7

50541-32-7 | 1H-Imidazole-4-carboxaldehyde, 1-ethyl-2-[(phenylmethyl)thio]-

CAS No: 50541-32-7 Catalog No: AG006YIK MDL No:

Product Description

Catalog Number:
AG006YIK
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 1-ethyl-2-[(phenylmethyl)thio]-
CAS Number:
50541-32-7
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
IUPAC Name:
2-benzylsulfanyl-1-ethylimidazole-4-carbaldehyde
InChI:
InChI=1S/C13H14N2OS/c1-2-15-8-12(9-16)14-13(15)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChI Key:
DSHYFIAUYWUOKO-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c(n1)SCc1ccccc1)CC

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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