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Acetamide, N,N'-1,2-ethanediylbis[2-mercapto-
1. Names and Identifiers
- 1.1 Name
- Acetamide, N,N'-1,2-ethanediylbis[2-mercapto-
- 1.2 Synonyms
- Acetamide, N,N'-1,2-ethanediylbis[2-mercapto-;
- 1.3 CAS No.
- 692-93-3
- 1.4 CID
- 368250
- 1.5 Molecular Formula
- C6H12N2O2S2
- 1.6 Inchi
- InChI=1S/C6H12N2O2S2/c9-5(3-11)7-1-2-8-6(10)4-12/h11-12H,1-4H2,(H,7,9)(H,8,10)
- 1.7 InChkey
- SQPIKOWZWIINCK-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C(CNC(=O)CS)NC(=O)CS
- 1.9 Isomers Smiles
- C(CNC(=O)CS)NC(=O)CS
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：208.294g/mol
- Molecular Formula：C6H12N2O2S2
- Compound Is Canonicalized：True
- Exact Mass：-0.5
- XLogP3-AA：208.03401998
- Monoisotopic Mass：208.03401998
- Complexity：146
- Rotatable Bond Count：5
- Hydrogen Bond Donor Count：4
- Hydrogen Bond Acceptor Count：4
- Topological Polar Surface Area：60.2
- Heavy Atom Count：：12
- 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：AAADccBjMABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQAAAAAADFwASAAALAAAQIAAEQEAAAAAAAAAAAAIAIAAAAQAAAAAAQAAAAFgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Realated Product Infomation
EN
