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13636-88-9 | 2-Propen-1-one, 3,3-bis(methylthio)-1-phenyl-
CAS No: 13636-88-9 Catalog No: AG0011SZ MDL No:MFCD00034120
Product Description
Catalog Number:
AG0011SZ
Chemical Name:
2-Propen-1-one, 3,3-bis(methylthio)-1-phenyl-
CAS Number:
13636-88-9
Molecular Formula:
C11H12OS2
Molecular Weight:
224.3424
MDL Number:
MFCD00034120
IUPAC Name:
3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C11H12OS2/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
BKRQPGGEQSTJFK-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1ccccc1)SC
NSC Number:
133270
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.336g/mol
Monoisotopic Mass:
224.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Aroylketene dithioacetal chemistry: facile synthesis of 4-aroyl-3-methylsulfanyl-2-tosylpyrroles from aroylketene dithioacetals and TosMIC. | Beilstein journal of organic chemistry 20070101 |
| 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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