2-Hydroxybenzene-1-carbothioamide - ≥95% , CAS No.7133-90-6

CAS: 7133-90-6 Cat. No.: H700352 Fórmula: C₇H₇NOS Peso molecular: 153.20 Número CE: 674-700-5

GRADE & PURITY ≥95%

Synonyms

2-Hydroxy-Benzenecarbothioamide | (6E)-6-(Amino-Sulfanyl-Methylene)Cyclohexa-2,4-Dien-1-One

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Hydroxy-Benzenecarbothioamide | (6E)-6-(Amino-Sulfanyl-Methylene)Cyclohexa-2,4-Dien-1-One

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C1=CC=C(C(=C1)C(=S)N)O

IUPAC Name

2-hydroxybenzenecarbothioamide

InChIKey

JFYIBFCXQUDFQE-UHFFFAOYSA-N

INCHI

1S/C7H7NOS/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)

SMILES isoméricas

C1=CC=C(C(=C1)C(=S)N)O

Peso molecular

153.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Imidothioic acids and derivatives Alkylthiols Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Imidothioic acid or derivatives - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 153.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.025 Da
• Monoisotopic Mass: 153.025 Da
• Topological Polar Surface Area: 78.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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