기본 정보
- CAS
63815-82-7- 표준 SMILES
COc1ccc2c(c1)SC(=CC=CC=Cc1sc3cc(OC)ccc3[n+]1CCO)N2CCO.[Br-]- InChIKey
YKWBMACHHTUCPG-UHFFFAOYSA-M- 분자식
- C25H27BrN2O4S2
- 평균 분자량
- 563.5 g/mol
- 단동위원소 질량
- 562.05956
이름 및 식별자
- 우선 이름
- Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene]-1,3-pentadien-1-yl]-6-methoxy-, bromide (1:1)
- IUPAC
- 2-[2-[5-[3-(2-hydroxyethyl)-6-methoxy-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-6-methoxy-1,3-benzothiazol-3-yl]ethanol bromide
이름 및 동의어
EINECS 264-477-963815-82-7DTXSID30886314Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, bromideBenzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxy-ethyl)-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, bromideBenzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-6-methoxy-, bromide (1:1)Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene]-1,3-pentadien-1-yl]-6-methoxy-, bromide (1:1)Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene]-1,3-pentadienyl]-6-methoxy-, bromideRefChem:118619DTXCID701025648YKWBMACHHTUCPG-UHFFFAOYSA-MNS00055696
이름 더 보기
3-(2-Hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-6-methoxy-3H-benzothiazol-2-ylidene)penta-1,3-dienyl)-6-methoxybenzothiazolium bromide3-(2-Hydroxyethyl)-2-{5-[3-(2-hydroxyethyl)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]penta-1,3-dien-1-yl}-6-methoxy-1,3-benzothiazol-3-ium bromide
물성
구조 계산 물성
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 662
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene]-1,3-pentadien-1-yl]-6-methoxy-, bromide (1:1): INACTIVE
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