Cas no 2042-42-4 (Carbonodithioic acid,O-methyl ester (9CI))
2042-42-4 structure
Product Name:Carbonodithioic acid,O-methyl ester (9CI)
Carbonodithioic acid,O-methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbonodithioic acid,O-methyl ester (9CI)
- methoxymethanedithioic acid
- DTXSID10174367
- BB 0261712
- AKOS016344500
- 2042-42-4
- O-Methyl carbonodithioate
- Carbonodithioic acid, O-methyl ester
- SCHEMBL41117
- CHEMBL3039753
- O-methyl dithiocarbonic acid
-
- MDL： MFCD21146133
- Inchi： 1S/C2H4OS2/c1-3-2(4)5/h1H3,(H,4,5)
- InChI Key： YSTDSWVFMNLAHU-UHFFFAOYSA-N
- SMILES： SC(OC)=S
Computed Properties
- Exact Mass: 107.970356
- Monoisotopic Mass: 107.970356
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 42.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.3
- XLogP3: 1.3
Experimental Properties
- Density: 1.244
- Boiling Point: 94.1°Cat760mmHg
- Flash Point: 10.7°C
Carbonodithioic acid,O-methyl ester (9CI) Related Literature
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
-
C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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