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462069-02-9 | 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione
CAS No: 462069-02-9 Catalog No: AG01B5TC MDL No:MFCD03545924
Product Description
Catalog Number:
AG01B5TC
Chemical Name:
3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
462069-02-9
Molecular Formula:
C12H13NO2S2
Molecular Weight:
267.3671
MDL Number:
MFCD03545924
IUPAC Name:
(4-ethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C12H13NO2S2/c1-2-15-10-5-3-9(4-6-10)11(14)13-7-8-17-12(13)16/h3-6H,2,7-8H2,1H3
InChI Key:
QJWNLNJCCBRMTD-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)N1CCSC1=S
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.361g/mol
Monoisotopic Mass:
267.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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