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88855-02-1 | 4-Thiazolidinecarboxylicacid, 2-methyl-, (2S,4R)-
CAS No: 88855-02-1 Catalog No: AG004BKD MDL No:
Product Description
Catalog Number:
AG004BKD
Chemical Name:
4-Thiazolidinecarboxylicacid, 2-methyl-, (2S,4R)-
CAS Number:
88855-02-1
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
(2S,4R)-2-methyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C5H9NO2S/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4-/m0/s1
InChI Key:
FHTPNEYXMGZOSH-IMJSIDKUSA-N
SMILES:
C[C@H]1N[C@@H](CS1)C(=O)O
UNII:
BUB022SS48
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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