Home Other Building Blocks 5-IODO-3-METHYLISOTHIAZOLE-4-CARBOXYLIC ACID

5-IODO-3-METHYLISOTHIAZOLE-4-CARBOXYLIC ACID

CAS No.:
1383546-18-6
Catalog Number:
AG01DVZH
Molecular Formula:
C5H4INO2S
Molecular Weight:
269.0602
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Product Description
Catalog Number:
AG01DVZH
Chemical Name:
5-IODO-3-METHYLISOTHIAZOLE-4-CARBOXYLIC ACID
CAS Number:
1383546-18-6
Molecular Formula:
C5H4INO2S
Molecular Weight:
269.0602
MDL Number:
MFCD28140500
IUPAC Name:
5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H4INO2S/c1-2-3(5(8)9)4(6)10-7-2/h1H3,(H,8,9)
InChI Key:
XTIWMXFCHBNILL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(I)snc1C
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.901g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.056g/mol
Monoisotopic Mass:
268.901g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties