기본 정보
- CAS
6417-31-8- 표준 SMILES
CC(=O)Nc1ccc(NC(=O)Nc2ccc3c(O)c(N=Nc4ccc(-c5nc6ccc(C)c(S(=O)(=O)[O-])c6s5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc3c2)cc1.[Na+].[Na+].[Na+]- InChIKey
JWFOTJIXWCVMRP-UHFFFAOYSA-K- 분자식
- C33H23N6Na3O12S4
- 평균 분자량
- 892.8 g/mol
- 단동위원소 질량
- 891.99498702
이름 및 식별자
- 우선 이름
- 7-Benzothiazolesulfonic acid, 2-(4-(2-(6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-sulfophenyl)-6-methyl-, sodium salt (1:3)
- IUPAC
- trisodium;2-[4-[[6-[(4-acetamidophenyl)carbamoylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
- 영어명
- trisodium 2-[4-[[6-[[[[4-(acetamido)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-sulphonatophenyl]-6-methylbenzothiazole-7-sulphonate
- 분자식
- C33H23N6Na3O12S4
- 분자량
- 892.79803
이름 및 동의어
6417-31-8DTXSID40889432EINECS 229-135-57-Benzothiazolesulfonic acid, 2-(4-((6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-sulfophenyl)-6-methyl-, trisodium salt7-Benzothiazolesulfonic acid, 2-(4-(2-(6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-sulfophenyl)-6-methyl-, sodium salt (1:3)7-Benzothiazolesulfonic acid, 2-[4-[2-[6-[[[[4-(acetylamino)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-sulfophenyl]-6-methyl-, sodium salt (1:3)7-Benzothiazolesulfonic acid, 2-[4-[[6-[[[[4-(acetylamino)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-sulfophenyl]-6-methyl-, trisodium saltRefChem:105828DTXCID001030450Trisodium;2-[4-[[6-[(4-acetamidophenyl)carbamoylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonateTrisodium 2-(4-((6-((((4-(acetamido)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate
물성
구조 계산 물성
- 극성 표면적
- 353 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,720
물리화학적 성질
- EPA
- 7 · 7-Benzothiazolesulfonic acid, 2-[4-[[6-[[[[4-(acetylamino)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-sulfophenyl]-6-methyl-, trisodium salt (6417-31-8)
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 Information7-Benzothiazolesulfonic acid, 2-[4-[2-[6-[[[[4-(acetylamino)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-sulfophenyl]-6-methyl-, sodium salt (1:3): INACTIVE
제조 방법
2-(4-Amino-3-sulfophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid diazo, and 7-(3-(4-Acetamidophenyl)ureido)-4-hydroxynaphthalene-2-sulfonic acid coupling.
상·하류 제품 정보
상류 원료
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