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2-(Methylsulfonyl)imidazole - ≥97% , CAS No.27098-98-2
주문 가능
GRADE & PURITY ≥97%
Storage
Room temperature
Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
사양 및 순도
≥97%
보관 조건
Room temperature
순수함
≥97%
이름과 식별자
| 정식 스마일 | CS(=O)(=O)C1=NC=CN1 |
|---|---|
| IUPAC Name | 2-methylsulfonyl-1H-imidazole |
| InChIKey | YNKRJGZPPAUPLQ-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N2O2S/c1-9(7,8)4-5-2-3-6-4/h2-3H,1H3,(H,5,6) |
| 이성체 SMILES | CS(=O)(=O)C1=NC=CN1 |
| 대체 CAS | 27098-98-2 |
| NSC 번호 | 222403 |
| 분자량 | 146.17 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- 분류 Azoles
- Subclass Imidazoles
- 분류 Azoles
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 분류 | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazoles |
| Alternative Parents | Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Sulfonyl - Sulfone - Imidazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 146.170 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 146.015 Da |
| Monoisotopic Mass | 146.015 Da |
| Topological Polar Surface Area | 71.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
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