Dimethyl trithiocarbonate - CAS 2314-48-9
Catalog: |
BB017946 |
Product Name: |
Dimethyl trithiocarbonate |
CAS: |
2314-48-9 |
Synonyms: |
bis(methylsulfanyl)methanethione |
IUPAC Name: | bis(methylsulfanyl)methanethione |
Description: | Dimethyl trithiocarbonate (CAS# 2314-48-9) is a useful research chemical compound. |
Molecular Weight: | 138.27 |
Molecular Formula: | C3H6S3 |
Canonical SMILES: | CSC(=S)SC |
InChI: | InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3 |
InChI Key: | IQWMXKTYXNMSLC-UHFFFAOYSA-N |
Boiling Point: | 101-102 °C / 12 mmHg (lit.) |
Density: | 1.245 g/cm3 |
Appearance: | Colorless to orange to yellow liquid |
MDL: | MFCD00040235 |
LogP: | 1.99730 |
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PMID | Publication Date | Title | Journal |
16379529 | 20051201 | Abiotic synthesis of organic compounds from carbon disulfide under hydrothermal conditions | Astrobiology |
12539971 | 20021201 | The 13C chemical shift tensor principal values and orientations in dialkyl carbonates and trithiocarbonates | Solid state nuclear magnetic resonance |
Complexity: | 44 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.96316371 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.96316371 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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