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1450-31-3 | Methanethione, diphenyl-
CAS No: 1450-31-3 Catalog No: AG001KF9 MDL No:
Product Description
Catalog Number:
AG001KF9
Chemical Name:
Methanethione, diphenyl-
CAS Number:
1450-31-3
Molecular Formula:
C13H10S
Molecular Weight:
198.2835
IUPAC Name:
diphenylmethanethione
InChI:
InChI=1S/C13H10S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI Key:
XDDVRYDDMGRFAZ-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)c1ccccc1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.283g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Reaction of 'non-symmetrical' 1,2,4-trithiolanes with [(phosphane)Pt(0)(η2-nbe)] complexes. | Chemistry, an Asian journal 20120601 |
| DFT study on the cycloreversion of thietane radical cations. | The journal of physical chemistry. A 20110602 |
| Magnetic field effects on hydrogen abstraction of thiobenzophenone as a probe of microviscosity. | The journal of physical chemistry. B 20110310 |
| Complexes of Gilman reagents with C-S and C-N double bonds: sigma or pi bonding? | Journal of the American Chemical Society 20100721 |
| Photoinduced electron-transfer cycloreversion of thietanes: the role of ion-molecule complexes. | Organic letters 20100416 |
| DFT study on the molecular mechanism of the [4 + 2] cycloaddition between thiobenzophenone and arylalkenes via radical cations. | The journal of physical chemistry. A 20090514 |
| Novel [4+2] cycloaddition between thiobenzophenone and aryl-substituted alkenes via photoinduced electron transfer. | Organic letters 20070830 |
| Reaction of thioketones with propiolic acids. | Organic & biomolecular chemistry 20060721 |
| A computational study of the cycloaddition of thiobenzophenone S-methylide to thiobenzophenone. | Journal of the American Chemical Society 20031126 |
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