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

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

CAS No.:
69588-05-2
Catalog Number:
AG01AAD7
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
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Product Description
Catalog Number:
AG01AAD7
Chemical Name:
2-pentyl-1,3-thiazolidine-4-carboxylic acid
CAS Number:
69588-05-2
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
MDL Number:
MFCD11198617
IUPAC Name:
2-pentyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C9H17NO2S/c1-2-3-4-5-8-10-7(6-13-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChI Key:
YAHGGWNXWOIXJD-UHFFFAOYSA-N
SMILES:
CCCCCC1NC(CS1)C(=O)O
NSC Number:
302581
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties