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기본 정보
- CAS
116170-84-4- 표준 SMILES
CCOC(=O)c1cc(C#N)c(SC)s1- InChIKey
UOHGLSFLWKHJKB-UHFFFAOYSA-N- 분자식
- C9H9NO2S2
- 평균 분자량
- 227.3 g/mol
- 단동위원소 질량
- 227.00747088
이름 및 식별자
- 우선 이름
- Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate
- IUPAC
- ethyl 4-cyano-5-methylsulfanylthiophene-2-carboxylate
- 현지명
- 에틸4-시아노-5-(메틸티오)티오펜-2-카르복실레이트
- 영어명
- ETHYL 4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE
- 분자식
- C9H9NO2S2
- 분자량
- 227.3
이름 및 동의어
116170-84-4ETHYL 4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, ethyl esterethyl 4-cyano-5-(methylsulfanyl)thiophene-2-carboxylateethyl 4-cyano-5-methylsulfanylthiophene-2-carboxylateMFCD01859680C9H9NO2S24-Cyano-5-methylsulfanylthiophene-2-carboxylic acid ethyl esterethyl 4-cyano-5-methylthiothiophene-2-carboxylateSCHEMBL742310DTXSID90355692UOHGLSFLWKHJKB-UHFFFAOYSA-N
이름 더 보기
에틸4-시아노-5-(메틸티오)티오펜-2-카르복실레이트SPECS AA-516/25012077Ethyl 4-cyano-5-(methylthio)Ethyl 3-cyano-2-(methylsulfanyl)thiophene-5-carboxylate
SBB097169AKOS005256322MS-20122DB-060854CS-04416042-methylthio-3-cyano-5-ethoxycarbonylthiopheneF73153AA-516/25012077
데이터베이스 식별자
- CAS
116170-84-4- PubChem CID
- 816702
- DTXSID
DTXSID90355692- EC Number
- 681-176-1
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 261
물리화학적 성질
- 녹는점
- 98 · 98-100°C
- 끓는 점
- 370.2 · 370.2±42.0 °C(Predicted)
- 밀도
- 1.31 · 1.31
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Danger
H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
안전 데이터
- ridadr
- UN3439
- HS 번호
- 2930909899
- 포장분류
- III
- 위험 등급
- 6.1
화학 및 산업
응용 분야
용도Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate is used as a reactant in the preparation of thienopyrazoles as kinase inhibitors for treating cancer.
공급사21 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
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