Home Carboxys 2-iodo-1,3-thiazole-4-carboxylic acid

2-iodo-1,3-thiazole-4-carboxylic acid

CAS No.:
944275-17-6
Catalog Number:
AG00II5H
Molecular Formula:
C4H2INO2S
Molecular Weight:
255.0336
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Product Description
Catalog Number:
AG00II5H
Chemical Name:
2-iodo-1,3-thiazole-4-carboxylic acid
CAS Number:
944275-17-6
Molecular Formula:
C4H2INO2S
Molecular Weight:
255.0336
MDL Number:
MFCD09991913
IUPAC Name:
2-iodo-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4H2INO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
InChI Key:
DJKDNYWFYDHZDD-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)I
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.885g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.029g/mol
Monoisotopic Mass:
254.885g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties