기본 정보
- CAS
118-07-0- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2C)C(=O)C1- InChIKey
AJPUJTAMBSRTEG-UHFFFAOYSA-N- 분자식
- C11H12N2O4S
- 평균 분자량
- 268.29 g/mol
- 단동위원소 질량
- 268.05177804
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
- IUPAC
- 3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
- 영어명
- 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
- 분자식
- C11H12N2O4S
- 분자량
- 268.29
이름 및 동의어
Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-DTXSID4059467RefChem:564452DTXCID4033427118-07-03-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acidBenzenesulfonic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-3-Methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acidAJPUJTAMBSRTEG-UHFFFAOYSA-NEINECS 204-232-56-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
이름 더 보기
BAS 00127991MLS000714417SMR000274396A2192/00921841-(2'-Methyl-4'-sulphophenyl)-3-methyl-5-pyrazolone1-(2''-METHYL-4''-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE3-Methyl-1-(2-methyl-4-sulfophenyl)-2-pyrazolin-5-one1-(2-Methyl-4-sulfophenyl)-3-methyl-1H-pyrazol-5(4H)-one
Q6QEW9473JCHEMBL1547454HMS2693C23ALBB-020664STK3964124-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acidAKOS000730788NCGC00245025-01
데이터베이스 식별자
- CAS
118-07-0- PubChem CID
- 67038
- DTXSID
DTXSID4059467- ChEMBL
CHEMBL1547454- UNII
- Q6QEW9473J
- EC Number
- 204-232-5
- Nikkaji
- J40.183H
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 480
물리화학적 성질
- EPA
- 4 · Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl- (118-07-0)
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 InformationBenzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-: ACTIVE
상·하류 제품 정보
하류 제품
공급사4 곳
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
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