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96989-50-3 | O,O-Di(pyridin-2-yl) carbonothioate
CAS No: 96989-50-3 Catalog No: AG0034P5 MDL No:MFCD00074870
Product Description
Catalog Number:
AG0034P5
Chemical Name:
O,O-Di(pyridin-2-yl) carbonothioate
CAS Number:
96989-50-3
Molecular Formula:
C11H8N2O2S
Molecular Weight:
232.2584
MDL Number:
MFCD00074870
IUPAC Name:
dipyridin-2-yloxymethanethione
InChI:
InChI=1S/C11H8N2O2S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H
InChI Key:
IKYOVSVBLHGFMA-UHFFFAOYSA-N
SMILES:
S=C(Oc1ccccn1)Oc1ccccn1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.257g/mol
Monoisotopic Mass:
232.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Combining [13C6]-phenylisothiocyanate and the Edman degradation reaction: a possible breakthrough for absolute quantitative proteomics together with protein identification. | Rapid communications in mass spectrometry : RCM 20100101 |
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