기본 정보
- CAS
63816-16-0- 표준 SMILES
CCC(=Cc1sc2cc(C)ccc2[n+]1CC)C=C1[Se]c2ccc(OC)cc2N1CC.[I-]- InChIKey
CQAPUGWAMRGZBV-UHFFFAOYSA-M- 분자식
- C25H29IN2OSSe
- 평균 분자량
- 611.5 g/mol
- 단동위원소 질량
- 612.02105
이름 및 식별자
- 우선 이름
- Benzothiazolium, 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methyl-, iodide (1:1)
- IUPAC
- 3-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methyl-1,3-benzothiazol-3-ium iodide
이름 및 동의어
63816-16-0EINECS 264-494-1DTXSID40886643Benzothiazolium, 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methyl-, iodide (1:1)Benzothiazolium, 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methyl-, iodideBenzothiazolium, 3-ethyl-2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-6-methyl-, iodideBenzothiazolium. 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methyl-, iodideBenzothiazolium, 3-ethyl-2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-buten-1-yl]-6-methyl-, iodide (1:1)RefChem:118636DTXCID701025967CQAPUGWAMRGZBV-UHFFFAOYSA-MNS00087530
이름 더 보기
3-Ethyl-2-(2-((3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-6-methylbenzothiazolium iodide3-ethyl-2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-6-methyl-1,3-benzothiazol-3-ium iodide
물성
구조 계산 물성
- 극성 표면적
- 44.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 653
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzothiazolium, 3-ethyl-2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-buten-1-yl]-6-methyl-, iodide (1:1): INACTIVE
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