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338963-05-6 | 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3,3-dimethylbutanoic acid
CAS No: 338963-05-6 Catalog No: AG00IYEJ MDL No:MFCD01316045
Product Description
Catalog Number:
AG00IYEJ
Chemical Name:
2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3,3-dimethylbutanoic acid
CAS Number:
338963-05-6
Molecular Formula:
C10H19NO4S
Molecular Weight:
249.3272
MDL Number:
MFCD01316045
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C10H19NO4S/c1-10(2,3)8(9(12)13)11-4-6-16(14,15)7-5-11/h8H,4-7H2,1-3H3,(H,12,13)
InChI Key:
ICVZKMPHOSUDOP-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(C)(C)C)N1CCS(=O)(=O)CC1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.325g/mol
Monoisotopic Mass:
249.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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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