기본 정보
- CAS
18420-49-0- 표준 SMILES
CCC(=Cc1ccc2ccccc2[n+]1C)C=C1Sc2ccccc2N1C.[I-]- InChIKey
CNNLZFMCEPOKCI-UHFFFAOYSA-M- 분자식
- C23H23IN2S
- 평균 분자량
- 486.4 g/mol
- 단동위원소 질량
- 486.06267
이름 및 식별자
- 우선 이름
- Quinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, iodide (1:1)
- IUPAC
- 3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide
이름 및 동의어
18420-49-01-Methyl-2-(2-((3-methyl-2-benzothiazolinylidene)methyl)-1-butenyl)quinolinium iodideDTXSID90885040Quinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, iodideQuinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, iodide (1:1)1-Methyl-2-[2-[(3-methyl-2-benzothiazolinylidene)methyl]-1-butenyl]quinolinium iodideQuinolinium, 1-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, iodide (1:1)RefChem:178297DTXCID301024448CNNLZFMCEPOKCI-UHFFFAOYSA-M3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;iodideQuinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl )-1-butenyl)-, iodide
이름 더 보기
1-Methyl-2-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}quinolin-1-ium iodide
물성
구조 계산 물성
- 극성 표면적
- 32.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 554
화학 및 산업
용도 및 제조
General Manufacturing InformationQuinolinium, 1-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-, iodide (1:1): INACTIVE
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