1H-Imidazole-5-carboxaldehyde, 2-(ethylthio)-1-methyl-


Chemical Name: 1H-Imidazole-5-carboxaldehyde, 2-(ethylthio)-1-methyl-
CAS Number: 191411-48-0
Product Number: AG00AMR4(AGN-PC-0KKPFQ)
Synonyms:
MDL No:
Molecular Formula: C7H10N2OS
Molecular Weight: 170.2321

Identification/Properties


Computed Properties
Molecular Weight:
170.23g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
170.051g/mol
Monoisotopic Mass:
170.051g/mol
Topological Polar Surface Area:
60.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
142
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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