Home Carboxys 2,2-diethyl-1,3-thiazolidine-4-carboxylic acid

2,2-diethyl-1,3-thiazolidine-4-carboxylic acid

CAS No.:
90205-29-1
Catalog Number:
AG01DWT8
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
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Product Description
Catalog Number:
AG01DWT8
Chemical Name:
2,2-diethyl-1,3-thiazolidine-4-carboxylic acid
CAS Number:
90205-29-1
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
MDL Number:
MFCD27756502
IUPAC Name:
2,2-diethyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C8H15NO2S/c1-3-8(4-2)9-6(5-12-8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChI Key:
IQZXMNKSVKVNMN-UHFFFAOYSA-N
SMILES:
CCC1(CC)SCC(N1)C(=O)O
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.082g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.273g/mol
Monoisotopic Mass:
189.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties