2,8-Mercaptohypoxanthine , CAS No.15986-32-0

CAS: 15986-32-0 Cat. No.: M1072079 분자식: C₅H₄N₄OS₂ 분자량: 200.200 EC 번호: 240-120-2

Storage

Room temperature

Specifications

보관 조건

Room temperature

이름과 식별자

• 정식 스마일: C12=C(NC(=S)N1)NC(=S)NC2=O
• IUPAC Name: 2,8-bis(sulfanylidene)-7,9-dihydro-3H-purin-6-one
• InChIKey: NDSUZZIWNBVBKW-UHFFFAOYSA-N
• INCHI: 1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
• 분자량: 200.200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioxanthines
• Alternative Parents: Purinethiones 6-oxopurines Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Imidazolethiones Vinylogous amides Heteroaromatic compounds Imidazoles Thioureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thioxanthine - 6-oxopurine - Purinethione - Purinone - 2-thiopyrimidine - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Pyrimidine - Imidazole-2-thione - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Thiourea - Lactam - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl 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

화학 및 물리적 특성

• 분자량: 200.200 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.983 Da
• Monoisotopic Mass: 199.983 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 334.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15986-32-0, the molecular formula is C5H4N4OS2, and the molecular weight is 200.200 g/mol. InChIKey NDSUZZIWNBVBKW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.