(3Z)-3-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
기본 정보
- CAS
617694-99-2- 표준 SMILES
COCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S- InChIKey
RNBQHNTUPSUQSO-HNENSFHCSA-N- 분자식
- C22H20N2O3S2
- 평균 분자량
- 424.5 g/mol
- 단동위원소 질량
- 424.09153485
이름 및 식별자
- 우선 이름
- (3Z)-3-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
- IUPAC
- (5Z)-3-(2-methoxyethyl)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
이름 및 동의어
617694-99-2(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one(3Z)-3-(3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-1-(4-METHYLBENZYL)-1,3-DIHYDRO-2H-INDOL-2-ONERefChem:401651644-270-3ZINC26952443-[(5Z)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-oneHMS1428K21MFCD03535032STK880805ZINC02695244AKOS002196220
이름 더 보기
IDI1_011276(5Z)-3-(2-methoxyethyl)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one(Z)-3-(2-methoxyethyl)-5-(1-(4-methylbenzyl)-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-oneZINC000002695244F1423-0833COCCN1C(=S)SC(=C2c3ccccc3N(C2=O)Cc2ccc(cc2)C)C1=OCC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCOC)C2=O(3Z)3(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)1(4methylbenzyl)13dihydro2Hindol2one
데이터베이스 식별자
- CAS
617694-99-2- PubChem CID
- 2139066
- EC Number
- 644-270-3
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 715
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAquatic Acute 1 (100%)
관련 반응
0건
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