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83711-67-5 | 3,6-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
CAS No: 83711-67-5 Catalog No: AG004T6E MDL No:
Product Description
Catalog Number:
AG004T6E
Chemical Name:
3,6-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
CAS Number:
83711-67-5
Molecular Formula:
C6H7NO4S
Molecular Weight:
189.1891
IUPAC Name:
3,6-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
InChI:
InChI=1S/C6H7NO4S/c8-5(9)3-1-12-2-4(7-3)6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
InChI Key:
XIVVIYYWXOMYOD-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSCC(=N1)C(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.185g/mol
Monoisotopic Mass:
189.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Proteomic identification of binding partners for the brain metabolite lanthionine ketimine (LK) and documentation of LK effects on microglia and motoneuron cell cultures. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20100224 |
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