2-((5Z)-5-((3-(2-Methyl-2,3-dihydro-1-benzofuran-5-YL)-1-phenyl-1H-pyraz OL-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)ethanesulfonic acid
기본 정보
- CAS
623934-94-1- 표준 SMILES
CC1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1- InChIKey
PCLJWEZUOYANNR-BKUYFWCQSA-N- 분자식
- C24H21N3O5S3
- 평균 분자량
- 527.6 g/mol
- 단동위원소 질량
- 527.0643343
이름 및 식별자
- 우선 이름
- 2-((5Z)-5-((3-(2-Methyl-2,3-dihydro-1-benzofuran-5-YL)-1-phenyl-1H-pyraz OL-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)ethanesulfonic acid
- IUPAC
- 2-[(5Z)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
- 영어명
- SALOR-INT L431281-1EA
- 분자식
- C24H21N3O5S3
- 분자량
- 527.64
이름 및 동의어
623934-94-12-((5Z)-5-((3-(2-Methyl-2,3-dihydro-1-benzofuran-5-YL)-1-phenyl-1H-pyraz OL-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)ethanesulfonic acid2-((5Z)-5-{[3-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-YL)-1-PHENYL-1H-PYRAZ OL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ETHANESULFONIC ACIDRefChem:449699645-957-02-(5-((3-(2-Methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acidrhodanine derivative, 39RHODANINEDERIVATIVE39SCHEMBL1907484BDBM28880MFCD04442257STK814645
이름 더 보기
SALOR-INT L431281-1EA2-((5Z)-5-([3-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-YL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ETHANESULFONIC ACID
AKOS002195156AKOS016069162ZINC000002533630ZINC000070622137CC1Oc2c(C1)cc(cc2)c1nn(cc1C=C1SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)O)C5=CC=CC=C52((5Z)5((3(2METHYL23DIHYDRO1BENZOFURAN5YL)1PHENYL1HPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANE1SULFONICACID2((5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 168 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 962
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…