기본 정보
- CAS
63467-09-4- 표준 SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1- InChIKey
QFMUFGXGLWRZKO-UHFFFAOYSA-N- 분자식
- C21H21N5O4S2
- 평균 분자량
- 471.6 g/mol
- 단동위원소 질량
- 471.10349652
이름 및 식별자
- 우선 이름
- Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)-
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate
- 영어명
- 2-[(2-cyanoethyl)[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl acetate
- 분자식
- C21H21N5O4S2
- 분자량
- 471.55
이름 및 동의어
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-EINECS 264-222-1Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)-Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)-Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]-RefChem:86902263467-09-42-((2-Cyanoethyl)(4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)ethyl acetate2-[N-(2-cyanoethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate2-[(2-CYANOETHYL)[4-[[6-(METHYLSULPHONYL)BENZOTHIAZOL-2-YL]AZO]PHENYL]AMINO]ETHYL ACETATE56LX4EPT4XDTXSID2069868
이름 더 보기
Pramipexole Impurity 34Acetic acid 2-[(2-cyanoethyl)[4-[[6-(methylsulfonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl esterPropanenitrile, 3-[[2-(acetyloxy)ethyl][4- [[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl ]amino]-
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 814
물리화학적 성질
- 끓는 점
- 725 · 725.0±70.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.50(Predicted)
- EPA
- 3 · Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]- (63467-09-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]-: ACTIVE
공급사4 곳
济南百隆化学有限公司[email protected] · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
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