기본 정보
- CAS
956357-74-7- 표준 SMILES
CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3Cl)c(Sc3ccc(Cl)cc3)s2)c1C(F)(F)F- InChIKey
XPTYFECIHSWMBB-UHFFFAOYSA-N- 분자식
- C22H13Cl3F3N3O2S2
- 평균 분자량
- 578.8 g/mol
이름 및 식별자
- 우선 이름
- ethyl 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-[5-(4-chlorophenyl)sulfanyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
- 영어명
- ethyl 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- 분자식
- C22H13Cl3F3N3O2S2
- 분자량
- 578.84
이름 및 동의어
956357-74-7ethyl 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl 1-[5-(4-chlorophenyl)sulfanyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylateethyl 1-{5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateAKOS0050895323T-0033Ethyl 1-(5-((4-chlorophenyl)thio)-4-(2,4-dichlorophenyl)thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl1-{5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 1-[5-[(4-chlorophenyl)thio]-4-(2,4-dichlorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-, ethyl ester
데이터베이스 식별자
- CAS
956357-74-7
물성
구조 계산 물성
- XLogP
- 8.3
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 736
물리화학적 성질
- 끓는 점
- 657.9 · 657.9±65.0 °C(Predicted)
- 밀도
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.33 · -3.33±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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