기본 정보
- CAS
905-97-5- 표준 SMILES
CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-]- InChIKey
VZBILKJHDPEENF-UHFFFAOYSA-M- 분자식
- C21H21IN2S2
- 평균 분자량
- 492.4 g/mol
- 단동위원소 질량
- 492.01908867
개요
See also: 3,3'-Diethylthiacarbocyanine iodide (preferred).
이름 및 식별자
- 우선 이름
- 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide
- IUPAC
- 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
- 영어명
- 3,3'-Diethylthiacarbocyanine iodide
- 분자식
- C21H21IN2S2
- 분자량
- 492.44
이름 및 동의어
3,3'-Diethyl-2,2'-thiacarbocyanine iodideC21H21IN2S23,3-DIETHYLTHIACARBOCYANINE IODIDE3,3'-Diethylthiacarbocyanine Iodide, 98%3-Ethyl-2-[3-[3-ethyl-2(3H)-benzothiazolylidene]-1-propenyl]benzothiazolium Iodide; DiSC2(3)thiacarbocyanine iodide3-ethyl-2-[(1E)-3-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide3-ethyl-2-[3-(3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodideSCHEMBL142862orb2695144SCHEMBL5453755
이름 더 보기
DTCIH283D 283NK 76NK 180LC 8760Med 283DISC2(3)NK 180 (DYE)AURORA KA-302
VZBILKJHDPEENF-UHFFFAOYSA-M57441-59-5F9875043,3'-DIETHYLBENZOTHIAZOLIUMCARBOCYANINE IODIDE3,3 inverted exclamation marka-Diethylthiacarbocyanine iodide3-ETHYL-2-(3-(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)PROPENYL)BENZOTHIAZOLIUM IODIDE3-Ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-propenyl]-benzothiazolium iodide3,3'-diethyltrimethinethiacyanineiodide;3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-1-propenyl)-benzothiazoliui;3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-1-propenyl)benzothiazoliumiod;3,3-DIETHYL-THIACARBOCYANIN IODIDE;3,3-DIETHYL-4,5,4,5-DIBENZOT
물성
구조 계산 물성
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 474
물리화학적 성질
- 녹는점
- 268 · 268-270 °C (dec.) (lit.)
- 저장 조건
- 2 · 2-8°C, sealed storage, away from moisture
- 용해도
- DMSO: 용해될 수 있다
- 물리적 상태
- powder to crystal
- 색상
- Amber to Brown to Dark green
- BRN
- 4117818 · 4117818
- InChI
- 1S/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
- InChIKey
- VZBILKJHDPEENF-UHFFFAOYSA-M
- SMILES
- [I-].CCN1\C(Sc2ccccc12)=C\C=C\c3sc4ccccc4[n+]3CC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- rtecs
- DL7061500
- HS 번호
- 2934.20.8000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 8-10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3,3''-Diethylthiacarbocyanine iodide is a dye for fluorescence study
일반 설명3,3′-Diethylthiacarbocyanine iodide (DTCI) is a cyanine dye, which acts as a donor in the electrochemical system. It can be used in the development of electrochemical cells.
공급사61 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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