Home Carboxys Ethyl 5-iodothiazole-4-carboxylate

Ethyl 5-iodothiazole-4-carboxylate

CAS No.:
900530-64-5
Catalog Number:
AG00H2TH
Molecular Formula:
C6H6INO2S
Molecular Weight:
283.0868
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Product Description
Catalog Number:
AG00H2TH
Chemical Name:
Ethyl 5-iodothiazole-4-carboxylate
CAS Number:
900530-64-5
Molecular Formula:
C6H6INO2S
Molecular Weight:
283.0868
MDL Number:
MFCD18910293
IUPAC Name:
ethyl 5-iodo-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H6INO2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2H2,1H3
InChI Key:
XMDZWPSEQYJMHL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncsc1I
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.916g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.083g/mol
Monoisotopic Mass:
282.916g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties