5-Methyl-2-thiouracil - ≥98% , CAS No.636-26-0

CAS: 636-26-0 Cat. No.: M135664 분자식: C₅H₆N₂OS 분자량: 142.18 Beilstein Registry Number: 24(1)330 EC 번호: 622-152-2

GRADE & PURITY ≥98%

Synonyms

2,3-Dihydro-5-methyl-2-thioxo-4(1H)-pyrimidinone | A834443 | FT-0620619 | NSC9377 | NSC-9377 | 5-methyl-2-thioxo-1H-pyrimidin-4-one | AKOS006228865 | ZLAQATDNGLKIEV-UHFFFAOYSA- | CAS-636-26-0 | 2,3-dihydro-5-methyl-2-thioxopyrimidin-4(1H)-one | AKOS002263

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

2,3-Dihydro-5-methyl-2-thioxo-4(1H)-pyrimidinone | A834443 | FT-0620619 | NSC9377 | NSC-9377 | 5-methyl-2-thioxo-1H-pyrimidin-4-one | AKOS006228865 | ZLAQATDNGLKIEV-UHFFFAOYSA- | CAS-636-26-0 | 2,3-dihydro-5-methyl-2-thioxopyrimidin-4(1H)-one | AKOS002263

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488191241
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191241
• 정식 스마일: CC1=CNC(=S)NC1=O
• IUPAC Name: 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
• InChIKey: ZLAQATDNGLKIEV-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
• 이성체 SMILES: CC1=CNC(=S)NC1=O
• RTECS: XP2108500
• 분자량: 142.18
• Beilstein: 24(1)330
• Reaxy-Rn: 120488
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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: 142.180 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.02 Da
• Monoisotopic Mass: 142.02 Da
• Topological Polar Surface Area: 73.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 197.000
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 636-26-0, the molecular formula is C5H6N2OS, and the molecular weight is 142.18 g/mol. InChIKey ZLAQATDNGLKIEV-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.