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10005-35-3 | 3(2H)-Pyridazinone, 4,5-bis(ethylthio)-2-phenyl-
CAS No: 10005-35-3 Catalog No: AG0000OM MDL No:
Product Description
Catalog Number:
AG0000OM
Chemical Name:
3(2H)-Pyridazinone, 4,5-bis(ethylthio)-2-phenyl-
CAS Number:
10005-35-3
Molecular Formula:
C14H16N2OS2
Molecular Weight:
292.4196
IUPAC Name:
4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one
InChI:
InChI=1S/C14H16N2OS2/c1-3-18-12-10-15-16(11-8-6-5-7-9-11)14(17)13(12)19-4-2/h5-10H,3-4H2,1-2H3
InChI Key:
RHIIWOOAQBPGAP-UHFFFAOYSA-N
SMILES:
CCSc1c(SCC)cnn(c1=O)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.415g/mol
Monoisotopic Mass:
292.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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