NATRIUM-2-(5-SULFIDO-1H-TETRAZOL-1-YL)ACETAT
- IUPACName：disodium;2-(5-sulfidotetrazol-1-yl)acetate
- CAS Registry Number: 61336-49-0
- Molekulargewicht：204.11812
1. Namen und Bezeichner
- 1.1 Produktname
- NATRIUM-2-(5-SULFIDO-1H-TETRAZOL-1-YL)ACETAT
- 1.2 Synonyme
SODIUM 2-(5-SULFIDO-1H-TETRAZOL-1-YL)ACETATEdisodium 5-sulphido-1H-tetrazole-1-acetateDisodium 5-sulfido-1H-tetrazole-1-acetate
- 1.3 CAS Registry Number
- 61336-49-0
- 1.4 CID
- 11970533
- 1.5 EINECS-Nummer
- 262-711-4
- 1.6 Summenformel
- C3H2N4Na2O2S (isomer)
- 1.7 Inchi
- VSGXNBCISIILEO-UHFFFAOYSA-L
- 1.8 InchiKey
- VSGXNBCISIILEO-UHFFFAOYSA-L
- 1.9 Kanonisch SMILES
- [Na+].[Na+].[O-]C(=O)CN1N=NN=C1[S-]
- 1.10 Isomere SMILES
- [Na+].[Na+].[O-]C(=O)CN1N=NN=C1[S-]
2. SDB-Informationen
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. Computerchemische Daten
- Masse moléculaire: 204.11812g/mol
- Summenformel: C3H2N4Na2O2S
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 203.96938506
- Monoisotopic Mass: 203.96938506
- Complexity: 137
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 84.7
- 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: 3
- CACTVS Substructure Key Fingerprint: AAADcQBDsDBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQIAAAAAADBgAQBGAYIAAAqAACQLAAAEAMAgIAVQACIAACCAAAACCAAAAAAAAIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Empfohlene Lieferanten
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- Products:organic chemicals; intermediates
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5. Realisierte Produktinformationen
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