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14226-94-9 | 3-Thiomorpholinecarboxylic acid, 6,6-dimethyl-5-oxo-
CAS No: 14226-94-9 Catalog No: AG001I2J MDL No:MFCD02186412
Product Description
Catalog Number:
AG001I2J
Chemical Name:
3-Thiomorpholinecarboxylic acid, 6,6-dimethyl-5-oxo-
CAS Number:
14226-94-9
Molecular Formula:
C7H11NO3S
Molecular Weight:
189.2321
MDL Number:
MFCD02186412
IUPAC Name:
6,6-dimethyl-5-oxothiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C7H11NO3S/c1-7(2)6(11)8-4(3-12-7)5(9)10/h4H,3H2,1-2H3,(H,8,11)(H,9,10)
InChI Key:
GWMBJMYQZAVSRN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(C(=O)N1)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.229g/mol
Monoisotopic Mass:
189.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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