1,3-DITHIOLE-2-THIONE
- Iupac Name：1,3-dithiole-2-thione
- CAS No.: 930-35-8
- Molecular Weight：134.24298
- Modify Date.: 2022-11-29 05:47
- Introduction:
Yellow crystal
View more+
1. Names and Identifiers
- 1.1 Name
- 1,3-DITHIOLE-2-THIONE
- 1.2 Synonyms
1,2-Ethenedithiol, cyclic trithiocarbonate 1,3-dithia-2-thioxo-cyclopent-4-ene 1,3-Dithiol-2-thione 1,3-dithiolethione 2H-1,3-Dithiole-2-thione Carbonic acid, trithio-, cyclic vinylene ester Dithiolene DT 827A isotrithione VINYLENE TRITHIOCARBONATE
- View all
- 1.3 CAS No.
- 930-35-8
- 1.4 CID
- 70254
- 1.5 EINECS(EC#)
- 213-215-1
- 1.6 Molecular Formula
- C3H2S3 (isomer)
- 1.7 Inchi
- InChI=1S/C3H2S3/c4-3-5-1-2-6-3/h1-2H
- 1.8 InChIkey
- WYKJWNVWJOKVQP-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CSC(=S)S1
- 1.10 Isomers Smiles
- C1=CSC(=S)S1
2. Properties
- 2.1 Density
- 1.56
- 2.1 Melting point
- 48-50 °C(lit.)
- 2.1 Boiling point
- 235.5 °C at 760 mmHg
- 2.1 Refractive index
- 1.806
- 2.1 Flash Point
- 96.2 °C
- 2.1 Precise Quality
- 133.93200
- 2.1 PSA
- 88.57000
- 2.1 logP
- 2.53910
- 2.1 Solubility
- 几乎不溶 (0.04 g/L) (25 oC),
- 2.2 Appearance
- Light yellow to Brown to Dark green powder to crystal
- 2.3 Chemical Properties
- Yellow crystal 1,3-DITHIOLE-2-THIONE Preparation Products And Raw materials Raw materials
- 2.4 Color/Form
- yellow
3. Safety and Handling
- 3.1 Safety Statements
- S22;S24/25
- 3.1 RIDADR
- NONH for all modes of transport
- 3.1 WGK Germany
- 3
- 3.1 RTECS
- JP1292125
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Synthesis Route
930-35-8Total: 8 Synthesis Route
7. Computational chemical data
- Molecular Weight: 134.24298g/mol
- Molecular Formula: C3H2S3
- Compound Is Canonicalized: True
- XLogP3-AA: 2
- Exact Mass: 133.93186358
- Monoisotopic Mass: 133.93186358
- Complexity: 84.2
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 82.7
- Heavy Atom Count: 6
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcQBAAABgAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAQAAAAAAACEQACAAAAAAAiEAAACAAAAAQAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Recommended Suppliers
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@dycnchem.com
-
-
- Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
- Tel:86-21-61124658
-
- Tel:021-67121386 800-988-0390
-
9. Realated Product Infomation
-
534-25-8
3H-1,2-DITHIOLE-3-THIONE
-
59089-89-3
4,5-ETHYLENEDITHIO-1,3-DITHIOLE-2-THIONE
-
70800-59-8
4,5-METHYLENEDITHIO-1,3-DITHIOLE-2-THIONE
-
68494-08-6
4,5-BIS(BENZOYLTHIO)-1,3-DITHIOLE-2-THIONE
-
49638-64-4
4,5-BIS(METHYLTHIO)-1,3-DITHIOLE-2-THIONE
-
127198-67-8
4-(2-NAPHTHYL)-1,3-DITHIOL-2-THIONE
-
153275-67-3
4-(3,4-DIHYDROXYPHENYL)-1,3-DITHIOL-2-THIONE
skype
13YRS
