기본 정보
- CAS
63467-13-0- 표준 SMILES
Cc1cc(NCCN2C(=O)c3ccccc3C2=O)ccc1N=Nc1nc2ccc(S(C)(=O)=O)cc2s1- InChIKey
GBVCFNGCJAGIKC-UHFFFAOYSA-N- 분자식
- C25H21N5O4S2
- 평균 분자량
- 519.6 g/mol
- 단동위원소 질량
- 519.10349652
이름 및 식별자
- 우선 이름
- 1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-
- IUPAC
- 2-[2-[3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione
- 영어명
- N-[2-[[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl]phthalimide
- 분자식
- C25H21N5O4S2
- 분자량
- 519.6
이름 및 동의어
63467-13-01H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-1H-Isoindole-1,3(2H)-dione, 2-(2-((3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)ethyl)-1H-Isoindole-1,3(2H)-dione, 2-(2-((3-methyl-4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)ethyl)-EINECS 264-225-81H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-M5FLY4P5CZN-(2-((3-Methyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)ethyl)phthalimideDTXSID7069869GBVCFNGCJAGIKC-UHFFFAOYSA-NDB-308899NS00035465
이름 더 보기
N-[2-[[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl]phthalimide2-[2-[[3-Methyl-4-[[6-(methylsulfonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl]-1H-isoindole-1,3(2H)-dione
2-[2-(4-{[6-(Methanesulfonyl)-1,3-benzothiazol-2-yl]diazenyl}-3-methylanilino)ethyl]-1H-isoindole-1,3(2H)-dione2-[2-[[3-Methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-1H-isoindole-1,3(2H)-dioneN-[2-[[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl ]azo]phenyl ]amino]ethyl ]phthalimide
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 946
물리화학적 성질
- 끓는 점
- 782 · 782.0±70.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.75 · 0.75±0.50(Predicted)
- EPA
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]- (63467-13-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-: INACTIVE
관련 반응
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