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356569-52-3 | 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CAS No: 356569-52-3 Catalog No: AG019GWB MDL No:MFCD01917790
Product Description
Catalog Number:
AG019GWB
Chemical Name:
4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CAS Number:
356569-52-3
Molecular Formula:
C14H16N2O2S2
Molecular Weight:
308.4190
MDL Number:
MFCD01917790
IUPAC Name:
4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
InChI:
InChI=1S/C14H16N2O2S2/c1-14(2,3)10-6-4-9(5-7-10)12(18)15-16-11(17)8-20-13(16)19/h4-7H,8H2,1-3H3,(H,15,18)
InChI Key:
OOMMKGOHXSIYHC-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1NC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.414g/mol
Monoisotopic Mass:
308.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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