기본 정보
- CAS
83006-47-7- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1- InChIKey
BQDUPLJLYXLYCF-UHFFFAOYSA-N- 분자식
- C24H23N5O6S2
- 평균 분자량
- 541.6 g/mol
- 단동위원소 질량
- 541.10897582
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-methyl-3-(((4-methylphenyl)amino)sulfonyl)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-
- IUPAC
- 4-[3-methyl-4-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
- 영어명
- p-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[(p-tolylamino)sulphonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
- 분자식
- C24H23N5O6S2
- 분자량
- 541.6
이름 및 동의어
Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-methyl-3-(((4-methylphenyl)amino)sulfonyl)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[[(4-methylphenyl)amino]sulfonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]-RefChem:564449Benzenesulfonic acid, 4-4,5-dihydro-3-methyl-4-4-methyl-3-(4-methylphenyl)aminosulfonylphenylazo-5-oxo-1H-pyrazol-1-yl-EINECS 280-097-683006-47-7p-(4,5-Dihydro-3-methyl-4-((4-methyl-3-((p-tolylamino)sulphonyl)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acidBQDUPLJLYXLYCF-UHFFFAOYSA-NNS000591304-[4,5-dihydro-3- methyl-4-[[4-methyl-3-[[(4-methylphenyl)amino]sulfonyl]phenyl]azo]-5-oxo-1H-pyrazBenzenesulfonic acidp-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[(p-tolylamino)sulphonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid4-[[4,5-Dihydro-3-methyl-4-[[4-methyl-3-[[(4-methylphenyl)amino]sulfonyl]phenyl]azo]-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid
이름 더 보기
Benzenesulfonic acid,4-[4,5-dihydro-3-methyl-4-[2-[4-methyl-3-[[(4-methylphenyl)amino]sulfonyl]phenyl]diazenyl]-5-oxo-1H-pyrazol-1-yl]-
데이터베이스 식별자
- CAS
83006-47-7- PubChem CID
- 166316
- EC Number
- 280-097-6
- Nikkaji
- J278.712A
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,100
물리화학적 성질
- 밀도
- 1.478 · 1.478±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -0.547 · -0.547±0.50(predicted)
화학 및 산업
공급사1 곳
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…