rac-2-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile

HCID 11369741

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

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

화학적 성질

Off-White Solid

화학 및 산업

응용 분야

용도A intermediate in the synthesis of the metabolite of the drug Clopidogrel

공급사25 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

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11건

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