Methabenzthiazuron - analytical standard , CAS No.18691-97-9

CAS: 18691-97-9 Cat. No.: M114634 分子式: C10H11N3OS 分子量: 221.28 Beilstein Registry Number: 196633 EC番号: 242-505-0
注文可能
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
Methabenzthiazuron | Metabenzthiazuron | TRIBUNIL | Methbenzthiazuron | Preparation 5633 | 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea | Bayer 5633 | 1-(2-Benzothiazolyl)-1,3-dimethylurea | N-2-Benzothiazolyl-N,N'-dimethylurea
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
USA
ドイツ (EU)*
Price
Qty
100mg
M114634-100mg
1 在庫あり
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$176.90
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Why this grade

analytical standard 分析用標準物質 for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged 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.

Specifications

同義語
Methabenzthiazuron | Metabenzthiazuron | TRIBUNIL | Methbenzthiazuron | Preparation 5633 | 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea | Bayer 5633 | 1-(2-Benzothiazolyl)-1,3-dimethylurea | N-2-Benzothiazolyl-N,N'-dimethylurea
仕様と純度
analytical standard
保管条件
Store at 2-8°C,Argon charged
入荷
Wet ice
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
等級
分析用標準物質
名前と識別子
パブケム・シド528773562
カノニカル・スマイルCNC(=O)N(C)C1=NC2=CC=CC=C2S1
IUPAC Name1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea
InChIKeyRRVIAQKBTUQODI-UHFFFAOYSA-N
INCHI1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
異性体SMILES CNC(=O)N(C)C1=NC2=CC=CC=C2S1
WGKドイツ 2
RTECS YR8980000
UN番号 3077
分子量 221.28
Beilstein 196633
Reaxy-Rn 196633
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=196633&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
分類Benzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Benzenoids  Thiazoles  Heteroaromatic compounds  Ureas  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors Urea herbicides
3 D構造
インタラクティブ化学構造モデル





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作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
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.

3 results found

Lot NumberCertificate Type日付商品
H2416359Certificate of AnalysisMay 20, 2026 M114634
H2416364Certificate of AnalysisMay 20, 2026 M114634
E1716001Certificate of AnalysisNov 10, 2022 M114634
化学的性質と物理的性質
感度Moisture sensitive
融点(°C)119-120°C
分子量221.280 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass221.062 Da
Monoisotopic Mass221.062 Da
Topological Polar Surface Area73.500 Ų
Heavy Atom Count15
Formal Charge0
Complexity249.000
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
ソリューション計算機
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