기본 정보
- CAS
24704-54-9- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=CC=Cc1c(C)[nH]n(-c2ccc(S(=O)(=O)O)cc2)c1=O- InChIKey
FNDCLGUEMQQMSV-UHFFFAOYSA-N- 분자식
- C23H20N4O8S2
- 평균 분자량
- 544.6 g/mol
- 단동위원소 질량
- 544.07225596
이름 및 식별자
- 우선 이름
- p-(4,5-Dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
- IUPAC
- 4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
- 영어명
- p-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]allylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
- 분자식
- C23H20N4O8S2
- 분자량
- 544.56
이름 및 동의어
24704-54-9EINECS 246-424-1p-(4,5-Dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acidDTXSID4074358Benzenesulfonic acid, 4-(4,5-dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2-propen-1-ylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propenylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-Benzenesulfonic acid, 4-(4,5-dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2-propenylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propen-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-P-[4,5-DIHYDRO-4-[3-[5-HYDROXY-3-METHYL-1-(4-SULPHOPHENYL)-1H-PYRAZOL-4-YL]ALLYLIDENE]-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONIC ACIDRefChem:857929DTXCID7037133246-424-1
이름 더 보기
4-[[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propenylidene]-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid4-[[4,5-Dihydro-4-[3-[[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol]-4-yl]-2-propenylidene]-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid
F83RN3VM8WSCHEMBL6680116SCHEMBL10036042SCHEMBL14197585AFWKVJIONUPCNY-UHFFFAOYSA-NFNDCLGUEMQQMSV-UHFFFAOYSA-NNS000277234-(5-Hydroxy-3-methyl-4-{3-[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-1H-pyrazol-1-yl)benzene-1-sulfonic acid
데이터베이스 식별자
- CAS
24704-54-9- PubChem CID
- 91225
- DTXSID
DTXSID4074358- UNII
- F83RN3VM8W
- EC Number
- 246-424-1
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 191 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,290
물리화학적 성질
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.77 · -1.77±0.50(Predicted)
- EPA
- 4 · Benzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propenylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]- (24704-54-9)
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 InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propen-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-: ACTIVE
공급사1 곳
上海杰股生物科技有限公司021-51698675 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…