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2-(5-スルフィド-1H-テトラゾール-1-イル)酢酸ナトリウム 分子構造
2-(5-スルフィド-1H-テトラゾール-1-イル)酢酸ナトリウム 分子構造

2-(5-スルフィド-1H-テトラゾール-1-イル)酢酸ナトリウム

IUPAC名称:disodium;2-(5-sulfidotetrazol-1-yl)acetate
CAS登録番号: 61336-49-0
分子量:204.11812
1. 名前と識別子
1.1 商品名
2-(5-スルフィド-1H-テトラゾール-1-イル)酢酸ナトリウム
1.2 同義語

SODIUM 2-(5-SULFIDO-1H-TETRAZOL-1-YL)ACETATEdisodium 5-sulphido-1H-tetrazole-1-acetateDisodium 5-sulfido-1H-tetrazole-1-acetate

1.3 CAS登録番号
61336-49-0
1.4 CID
11970533
1.5 EINECS番号
262-711-4
1.6 分子式
C3H2N4Na2O2S (isomer)
1.7 Inchi
VSGXNBCISIILEO-UHFFFAOYSA-L
1.8 InchiKey
VSGXNBCISIILEO-UHFFFAOYSA-L
1.9 標準的な SMILES
[Na+].[Na+].[O-]C(=O)CN1N=NN=C1[S-]
1.10 異性体 SMILES
[Na+].[Na+].[O-]C(=O)CN1N=NN=C1[S-]
2. MSDS情報

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. 計算化学データ
  • 分子: 204.11812g/mol
  • 分子式: 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. 推奨ベンダー
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  • Products:organic chemicals; intermediates
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Sodium 2-(5-sulfido-1H-tetrazol-1-yl)acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2016/12/28
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  • Tel:800 720 9483
SODIUM 2-(5-SULFIDO-1H-TETRAZOL-1-YL)ACETATE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
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  • Tel:86-21-51098642-125
1H-Tetrazole-1-aceticacid, 2,5-dihydro-5-thioxo-, sodium salt (1:2)
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2010/12/18
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  • Tel:+86-(571)-85983207, 56330213
Sodium 2-(5-sulfido-1H-tetrazol-1-yl)acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2010/12/18
Inquire
Sodium 2-(5-sulfido-1H-tetrazol-1-yl)acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2010/11/13
Inquire
5. 実際の製品情報