Acetamide, N,N'-1,2-ethanediylbis[2-mercapto-
- Iupac Name:2-sulfanyl-N-[2-[(2-sulfanylacetyl)amino]ethyl]acetamide
- CAS No.: 692-93-3
- Molecular Weight:208.294
- Modify Date.: 2022-11-27 05:21
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 (isomer)
- 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 InChIkey
- 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. Properties
- 2.1 Density
- 1.243
- 2.1 Boiling point
- 523.9°C at 760 mmHg
- 2.1 Refractive index
- 1.543
- 2.1 Flash Point
- 270.6°C
- 2.1 PSA
- 135.80000
- 2.1 logP
- -1.06 (Predicted)
3. 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
4. Computational chemical data
- Molecular Weight: 208.294g/mol
- Molecular Formula: C6H12N2O2S2
- Compound Is Canonicalized: True
- XLogP3-AA: -0.5
- Exact Mass: 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==
6. Realated Product Infomation
-
70277-15-5
Acetamide,2,2'-[1,2-ethanediylbis(oxy)]bis[N,N-dibutyl-
-
4405-22-5
1,2-ETHANEDIYLBIS(METHYLSILANE)
-
111915-68-5
Acetamide,N,N'-1,2-ethanediylbis[2-[[(2-propen-1-ylamino)thioxomethyl]amino]-
-
409111-92-8
Acetamide, N-[2-(dimethylamino)ethyl]-2-mercapto- (9CI)
-
25940-46-9
3,3'-[1,2-Ethanediylbis(oxy)]bisbenzenamine
-
5518-18-3
Hexadecanamide,N,N'-1,2-ethanediylbis-
-
7003-56-7
Dodecanamide, N,N-1,2-ethanediylbis-