2-Aminobenzothioamide - ≥95% , CAS No.2454-39-9

CAS: 2454-39-9 Cat. No.: A699623 분자식: C₇H₈N₂S 분자량: 152.22 EC 번호: 607-399-6 PubChem CID: 1550990

등급 & 순도 ≥95%

Synonyms

Thioanthranilamide | 2-AMINO-THIOBENZAMIDE

Storage

Protected from light,Room temperature

Shipped In

Normal

사양

동의어

Thioanthranilamide | 2-AMINO-THIOBENZAMIDE

사양 및 순도

≥95%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

정식 스마일

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

IUPAC Name

2-aminobenzenecarbothioamide

InChIKey

HPZKAJRFABCGFF-UHFFFAOYSA-N

INCHI

1S/C7H8N2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)

이성체 SMILES

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

PubChem CID

1550990

분자량

152.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

화학 및 물리적 특성

• 분자량: 152.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.041 Da
• Monoisotopic Mass: 152.041 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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