Home Carboxys 2-[2-(methylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxylic acid

2-[2-(methylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxylic acid

CAS No.:
53943-83-2
Catalog Number:
AG01BXMQ
Molecular Formula:
C7H13NO2S2
Molecular Weight:
207.3136
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Product Description
Catalog Number:
AG01BXMQ
Chemical Name:
2-[2-(methylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxylic acid
CAS Number:
53943-83-2
Molecular Formula:
C7H13NO2S2
Molecular Weight:
207.3136
MDL Number:
MFCD12157076
IUPAC Name:
2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C7H13NO2S2/c1-11-3-2-6-8-5(4-12-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChI Key:
HNYDDPYIPQVLDL-UHFFFAOYSA-N
SMILES:
CSCCC1NC(CS1)C(=O)O
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.306g/mol
Monoisotopic Mass:
207.039g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties