Home Carboxys 3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxylic acid

CAS No.:
1105507-65-0
Catalog Number:
AG01DUBK
Molecular Formula:
C10H15NO3S
Molecular Weight:
229.2960
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Product Description
Catalog Number:
AG01DUBK
Chemical Name:
3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxylic acid
CAS Number:
1105507-65-0
Molecular Formula:
C10H15NO3S
Molecular Weight:
229.2960
MDL Number:
MFCD09932700
IUPAC Name:
3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C10H15NO3S/c1-3-4-7(2)9(12)11-6-15-5-8(11)10(13)14/h4,8H,3,5-6H2,1-2H3,(H,13,14)
InChI Key:
HKMOXOCWLLDWTN-UHFFFAOYSA-N
SMILES:
CC(=CCC)C(=O)N1CSCC1C(=O)O
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.294g/mol
Monoisotopic Mass:
229.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  
Properties