5-Carboxy-2-thiouracil - ≥98% , CAS No.23945-50-8

CAS: 23945-50-8 Cat. No.: C340669 분자식: C5H4N2O3S 분자량: 172.16 EC 번호: 245-948-8
주문 가능
GRADE & PURITY ≥98%
Synonyms
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid | 5-Carboxy-4-hydroxy-2-thiopyrimidine | 2-Thiouracil-5-carboxylic acid
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
250mg
C340669-250mg
1 재고 있음
—

US$9.90

US$14.90
저장 US$5.00 (33.56%)
1g
C340669-1g
1 재고 있음
—

US$15.90

US$23.90
저장 US$8.00 (33.47%)
5g
C340669-5g
1 재고 있음
—

US$69.90

US$104.90
저장 US$35.00 (33.37%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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.

개요

5-Carboxy-2-thiouracil may produce potential anti-bacterial and anti-tumor methylhydrazonium salts.

Specifications

동의어
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid | 5-Carboxy-4-hydroxy-2-thiopyrimidine | 2-Thiouracil-5-carboxylic acid
사양 및 순도
≥98%
보관 조건
Store at 2-8°C
배송
Wet ice
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥98%
이름과 식별자
Pubchem Sid528762030
정식 스마일C1=C(C(=O)NC(=S)N1)C(=O)O
IUPAC Name4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
InChIKeyXKHWTDCFQVKNHW-UHFFFAOYSA-N
INCHI1S/C5H4N2O3S/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
이성체 SMILES C1=C(C(=O)NC(=S)N1)C(=O)O
WGK 독일 3
분자량 172.16
Reaxy-Rn 142201
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142201&ln=

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
분류Diazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives
Direct ParentPyrimidinecarboxylic acids
Alternative Parents Hydropyrimidine carboxylic acids and derivatives  Pyrimidones  Pyrimidinethiones  2-Thiopyrimidines  Vinylogous amides  Heteroaromatic compounds  Thioureas  Lactams  Carboxylic acids  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Carboxylic acid - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors Not available
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상호 작용 화학 구조 모델





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MKN-45 (2102 Activities)
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NB-4 (999 Activities)
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MV4-11 (7307 Activities)
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HIF1AN Tbio Hypoxia-inducible factor 1-alpha inhibitor (79 Activities)
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KDM4D Tchem Lysine-specific demethylase 4D (224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM2A Tchem Lysine-specific demethylase 2A (198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM6B Tchem Lysine-specific demethylase 6B (280 Activities)
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OCI-AML2 (350 Activities)
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KDM5B Tchem Lysine-specific demethylase 5B (814 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM3B Tbio Lysine-specific demethylase 3B (30 Activities)
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작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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.

6 results found

Lot NumberCertificate Type날짜항목
B2518197Certificate of AnalysisFeb 08, 2025 C340669
B2518330Certificate of AnalysisFeb 08, 2025 C340669
B2518331Certificate of AnalysisFeb 08, 2025 C340669
B2518332Certificate of AnalysisFeb 08, 2025 C340669
B2518333Certificate of AnalysisFeb 08, 2025 C340669
B2518337Certificate of AnalysisFeb 08, 2025 C340669
화학 및 물리적 특성
용해성Soluble in water (partly), and 1M NaOH (50 mg/ml).
굴절률n20D1.72 (Predicted)
끓는점(°C)447.97° C (Predicted)
녹는점(°C)188.30° C (Predicted)
분자량172.160 g/mol
XLogP3-0.100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass171.994 Da
Monoisotopic Mass171.994 Da
Topological Polar Surface Area111.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity271.000
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
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