Home Other Building Blocks 2-methyl-2-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid

2-methyl-2-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid

CAS No.:
1268036-59-4
Catalog Number:
AG01BHHA
Molecular Formula:
C11H11NO2S2
Molecular Weight:
253.3405
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Product Description
Catalog Number:
AG01BHHA
Chemical Name:
2-methyl-2-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CAS Number:
1268036-59-4
Molecular Formula:
C11H11NO2S2
Molecular Weight:
253.3405
MDL Number:
MFCD19358620
IUPAC Name:
2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
InChI:
InChI=1S/C11H11NO2S2/c1-11(2,10(13)14)8-6-16-9(12-8)7-4-3-5-15-7/h3-6H,1-2H3,(H,13,14)
InChI Key:
IUHPETLBCNHHMV-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1csc(n1)c1cccs1)(C)C
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.334g/mol
Monoisotopic Mass:
253.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties