6-Phenyl-2-thiouracil - ≥95% , CAS No.36822-11-4

CAS: 36822-11-4 Cat. No.: P133321 Fórmula: C10H8N2OS Peso molecular: 204.25 Número CE: 253-227-4 PubChem CID: 697057
Disponível para encomenda
GRADE & PURITY ≥95%
Synonyms
6-phenyl-2-sulanylidene-1H-pyrimidin-4-one | 6-Phenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | NSC163991 | NSC-163991 | AKOS005208337 | MFCD00465574 | SR-01000636416-1 | 6-Phenyl-2-thiouracil, analytical standard | 2,3-dihydro-2-thioxo-6-phenylpyrimidin-
Storage
Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
1g
P133321-1g
—
2 Em stock

25,08€

38,09€
Gravar 13,02 € (34.17%)
5g
P133321-5g
Sob encomenda · 8–12 semanas

124,87€

187,34€
Gravar 62,48 € (33.35%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

6-Phenyl-2-thiouracil is a thyreostatic (thyroid hormone) agent that may be used as a reference material in thyreostatic drug separation and detection technologies such as capillary electrophoresis, HPLC, or gas chromatography.

Specifications

Sinónimos
6-phenyl-2-sulanylidene-1H-pyrimidin-4-one | 6-Phenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | NSC163991 | NSC-163991 | AKOS005208337 | MFCD00465574 | SR-01000636416-1 | 6-Phenyl-2-thiouracil, analytical standard | 2,3-dihydro-2-thioxo-6-phenylpyrimidin-
Especificações e pureza
≥95%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Pureza
≥95%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504759919
Sorrisos canónicos
C1=CC=C(C=C1)C2=CC(=O)NC(=S)N2
IUPAC Name
6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
InChIKey
XEKNACRTWJHOCE-UHFFFAOYSA-N
INCHI
1S/C10H8N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
SMILES isoméricas
C1=CC=C(C=C1)C2=CC(=O)NC(=S)N2
PubChem CID
697057
Peso molecular
204.25
Reaxy-Rn
153750

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrimidines
Alternative Parents Pyrimidones  Pyrimidinethiones  2-Thiopyrimidines  Hydropyrimidines  Benzene and substituted derivatives  Vinylogous amides  Heteroaromatic compounds  Thioureas  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 4-phenylpyrimidine - 5-phenylpyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidone - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDataItem
E1722013Certificate of AnalysisMay 21, 2026 P133321
Propriedades químicas e físicas
Peso molecular204.250 g/mol
XLogP31.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass204.036 Da
Monoisotopic Mass204.036 Da
Topological Polar Surface Area73.200 Ų
Heavy Atom Count14
Formal Charge0
Complexity292.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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