Home Carboxys 4-methyl-2-(oxan-3-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(oxan-3-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:
1410694-99-3
Catalog Number:
AG01BC2V
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
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Product Description
Catalog Number:
AG01BC2V
Chemical Name:
4-methyl-2-(oxan-3-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1410694-99-3
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD18877178
IUPAC Name:
4-methyl-2-(oxan-3-yl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C10H13NO3S/c1-6-8(10(12)13)15-9(11-6)7-3-2-4-14-5-7/h7H,2-5H2,1H3,(H,12,13)
InChI Key:
WYTNXIDKKIJMCI-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)C1CCCOC1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties