Home Other Building Blocks 2-{4-methyl-2-[(2-methylpropyl)sulfanyl]-1,3-thiazol-5-yl}acetic acid

2-{4-methyl-2-[(2-methylpropyl)sulfanyl]-1,3-thiazol-5-yl}acetic acid

CAS No.:
1019352-39-6
Catalog Number:
AG01C3YY
Molecular Formula:
C10H15NO2S2
Molecular Weight:
245.3616
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Product Description
Catalog Number:
AG01C3YY
Chemical Name:
2-{4-methyl-2-[(2-methylpropyl)sulfanyl]-1,3-thiazol-5-yl}acetic acid
CAS Number:
1019352-39-6
Molecular Formula:
C10H15NO2S2
Molecular Weight:
245.3616
MDL Number:
MFCD11128512
IUPAC Name:
2-[4-methyl-2-(2-methylpropylsulfanyl)-1,3-thiazol-5-yl]acetic acid
InChI:
InChI=1S/C10H15NO2S2/c1-6(2)5-14-10-11-7(3)8(15-10)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChI Key:
OVGGSKIGXIWKRV-UHFFFAOYSA-N
SMILES:
CC(CSc1nc(c(s1)CC(=O)O)C)C
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.054g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.355g/mol
Monoisotopic Mass:
245.054g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties