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730992-53-7 | 1-{3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-hydroxyphenyl}ethan-1-one
CAS No: 730992-53-7 Catalog No: AG019IM5 MDL No:MFCD04624250
Product Description
Catalog Number:
AG019IM5
Chemical Name:
1-{3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-hydroxyphenyl}ethan-1-one
CAS Number:
730992-53-7
Molecular Formula:
C12H13NO2S2
Molecular Weight:
267.3671
MDL Number:
MFCD04624250
IUPAC Name:
1-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-hydroxyphenyl]ethanone
InChI:
InChI=1S/C12H13NO2S2/c1-8(14)9-2-3-11(15)10(6-9)7-17-12-13-4-5-16-12/h2-3,6,15H,4-5,7H2,1H3
InChI Key:
ROZDXHDMPJOOKE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1CSC1=NCCS1)C(=O)C
Properties
Complexity:
320
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.361g/mol
Monoisotopic Mass:
267.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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