Home Carboxys 3-butanoyl-1,3-thiazolidine-4-carboxylic acid

3-butanoyl-1,3-thiazolidine-4-carboxylic acid

CAS No.:
606935-22-2
Catalog Number:
AG01A9W3
Molecular Formula:
C8H13NO3S
Molecular Weight:
203.2587
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Product Description
Catalog Number:
AG01A9W3
Chemical Name:
3-butanoyl-1,3-thiazolidine-4-carboxylic acid
CAS Number:
606935-22-2
Molecular Formula:
C8H13NO3S
Molecular Weight:
203.2587
MDL Number:
MFCD09936647
IUPAC Name:
3-butanoyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C8H13NO3S/c1-2-3-7(10)9-5-13-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChI Key:
MFGCZLZGUBTUTK-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1CSCC1C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.062g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.256g/mol
Monoisotopic Mass:
203.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties