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92601-53-1

92601-53-1 | Acetic acid, [[(2-ethyl-1H-imidazol-4-yl)thioxomethyl]thio]-, methyl ester

CAS No: 92601-53-1 Catalog No: AG006G2K MDL No:

Product Description

Catalog Number:
AG006G2K
Chemical Name:
Acetic acid, [[(2-ethyl-1H-imidazol-4-yl)thioxomethyl]thio]-, methyl ester
CAS Number:
92601-53-1
Molecular Formula:
C9H12N2O2S2
Molecular Weight:
244.3338
IUPAC Name:
methyl 2-(2-ethyl-1H-imidazole-5-carbothioyl)sulfanylacetate
InChI:
InChI=1S/C9H12N2O2S2/c1-3-7-10-4-6(11-7)9(14)15-5-8(12)13-2/h4H,3,5H2,1-2H3,(H,10,11)
InChI Key:
QGMUPFXAFHKMBY-UHFFFAOYSA-N
SMILES:
COC(=O)CSC(=S)c1c[nH]c(n1)CC

Properties

Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.034g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.327g/mol
Monoisotopic Mass:
244.034g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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