기본 정보
- CAS
444728-11-4- 표준 SMILES
N#CC(c1ccccc1Cl)N1CCc2sccc2C1- InChIKey
JFDVAYOTONCKQN-UHFFFAOYSA-N- 분자식
- C15H13ClN2S
- 평균 분자량
- 288.8 g/mol
- 단동위원소 질량
- 288.0487971
이름 및 식별자
- 우선 이름
- rac-2-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
- IUPAC
- 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
- 영어명
- (+/-)-rac-2-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
- 분자식
- C15H13ClN2S
- 분자량
- 288.8
이름 및 동의어
444728-11-4rac-2-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile(+/-)-rac-2-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrileJFDVAYOTONCKQN-UHFFFAOYSA-Nalpha-(2-Chlorophenyl)-6,7-dihydro-thieno[3,2-c]pyridine-5(4H)-acetonitrile; (+/-)-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetonitrile; 2-(2-Chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile;SCHEMBL889300DTXSID40463852AKOS030255495(2-Chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetonitrile2-Chlorophenyl-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl) acetonitrile(+/-)-(2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl) acetonitrile
이름 더 보기
Clopidogrel Impurity KClopidogrel Impurity 40Clopidogrel Impurity 39α-(2-Chlorophenyl)-6,7-dihydro-thieno[3,2-c]pyridine-5(4H)-acetonitrileα-(2-Chlorophenyl)-6,7-dihydro-thieno[3,2-c]pyridine-5(4H)-acetonitrile(±)-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetonitrileThieno[3,2-c]pyridine-5(4H)-acetonitrile, α-(2-chlorophenyl)-6,7-dihydro-2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-yl)acetonitrile
(+/-)-(2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetonitrile(+/-)-(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl) acetonitrile(+/-)-(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetonitrile(+/-)-2-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetonitrile2(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridine-5(4h)yl)acetonitrile2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetonitrile
데이터베이스 식별자
- CAS
444728-11-4- PubChem CID
- 11369741
- DTXSID
DTXSID40463852
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 55.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 366
물리화학적 성질
- 녹는점
- 125 · 125-127°C
- 끓는 점
- 409.5 · 409.5±45.0 °C(Predicted)
- 밀도
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름, 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.58 · 2.58±0.20(Predicted)
- 색상
- 회백색
화학적 성질
Off-White Solid
화학 및 산업
응용 분야
용도A intermediate in the synthesis of the metabolite of the drug Clopidogrel
공급사25 곳
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