Determine the necessary mass, volume, or concentration for preparing a solution.
S-Sulindac , CAS No.149116-77-8
주문 가능
Storage
Room temperature
이 등급을 선택하는 이유
최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.
보관 및 배송
Room temperature 출고. 정확한 사양은 로트별 COA를 확인하세요.
품질 문서
SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.
문헌적 근거
크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.
사양
보관 조건
Room temperature
이름과 식별자
정식 스마일
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
IUPAC Name
2-[(3Z)-6-fluoro-2-methyl-3-[[4-[(S)-methylsulfinyl]phenyl]methylidene]inden-1-yl]acetic acid
InChIKey
MLKXDPUZXIRXEP-WXKFDZDZSA-N
INCHI
1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m0/s1
이성체 SMILES
CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)[S@@](=O)C)C=CC(=C2)F)CC(=O)O
대체 CAS
149116-77-8
PubChem CID
11245227
MeSH 용어
S-sulindac
문서
📋 안전 데이터 시트(SDS)
위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.
<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3고급 데이터
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Indenes and isoindenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indenes and isoindenes |
| Alternative Parents | Phenyl sulfoxides Aryl fluorides Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenyl sulfoxide - Indene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfoxide - Sulfinyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring). |
| 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 | 356.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 356.088 Da |
| Monoisotopic Mass | 356.088 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 616.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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