2-Nitrothiazole - ≥95% , CAS No.1606-76-4

CAS: 1606-76-4 Cat. No.: N587486 分子式: C₃H₂N₂O₂S 分子量: 130.13

グレード＆純度 ≥95%

Synonyms

2-Nitro-1,3-thiazole # | ALNUOSXDMYFQNQ-UHFFFAOYSA-N | SCHEMBL208274 | AKOS015917406 | ALNUOSXDMYFQNQ-UHFFFAOYSA- | NSC 355043 | DTXSID3073268 | 2-Nitro-1,3-thiazole | F87152 | 2-NITROTHIAZOLE | BAA60676 | Thiazole, 2-nitro- | InChI=1/C3H2N2O2S/c6-5(7)3-4

Storage

Desiccated,Room temperature

Shipped In

Normal

仕様

同義語

2-Nitro-1,3-thiazole # | ALNUOSXDMYFQNQ-UHFFFAOYSA-N | SCHEMBL208274 | AKOS015917406 | ALNUOSXDMYFQNQ-UHFFFAOYSA- | NSC 355043 | DTXSID3073268 | 2-Nitro-1,3-thiazole | F87152 | 2-NITROTHIAZOLE | BAA60676 | Thiazole, 2-nitro- | InChI=1/C3H2N2O2S/c6-5(7)3-4

仕様と純度

≥95%

保管条件

Desiccated,Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

504754774

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504754774

カノニカル・スマイル

C1=CSC(=N1)[N+](=O)[O-]

IUPAC Name

2-nitro-1,3-thiazole

InChIKey

ALNUOSXDMYFQNQ-UHFFFAOYSA-N

INCHI

1S/C3H2N2O2S/c6-5(7)3-4-1-2-8-3/h1-2H

異性体SMILES

C1=CSC(=N1)[N+](=O)[O-]

NSC番号

NSC Number': ['355043

分子量

130.13

Reaxy-Rn

116416

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrothiazoles
• Alternative Parents: Nitroaromatic compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Nitrothiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitrothiazoles. These are compounds containing a thiazole ring which bears a nitro group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 分子量: 130.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 129.984 Da
• Monoisotopic Mass: 129.984 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 102.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1