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2,2-dimethyl-1,3,2-dithiagermole
1. Names and Identifiers
- 1.1 Name
- 2,2-dimethyl-1,3,2-dithiagermole
- 1.2 CAS No.
- 104284-11-9
- 1.3 CID
- 16699543
- 1.4 Molecular Formula
- C4H8GeS2
- 1.5 Inchi
- InChI=1S/C4H8GeS2/c1-5(2)6-3-4-7-5/h3-4H,1-2H3
- 1.6 InChkey
- UDLQMHSXCYCGIO-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- C[Ge]1(SC=CS1)C
- 1.8 Isomers Smiles
- C[Ge]1(SC=CS1)C
2. 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
3. Computed Properties
- Molecular Weight：192.9g/mol
- Molecular Formula：C4H8GeS2
- Compound Is Canonicalized：True
- XLogP3-AA：193.9279204
- Monoisotopic Mass：193.9279204
- Complexity：87.9
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：2
- Topological Polar Surface Area：50.6
- Heavy Atom Count：：7
- 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：AAADccBgAABgAAAAgAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAQAAAAAAACEQACCAAAAAACAAAACAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Realated Product Infomation
EN
