기본 정보
- 표준 SMILES
CCSc1nc2ccccc2s1- InChIKey
HKIQFQKRAQSUJI-UHFFFAOYSA-N- 분자식
- C9H9NS2
- 평균 분자량
- 195.3 g/mol
- 단동위원소 질량
- 195.01764164
이름 및 식별자
- 우선 이름
- 2-(Ethylthio)benzothiazole
- IUPAC
- 2-ethylsulfanyl-1,3-benzothiazole
- 현지명
- 2-(에틸티오)벤조티아졸
- 영어명
- 2-(Ethylthio)benzothiazole
- 분자식
- C9H9NS2
- 분자량
- 195.3
이름 및 동의어
2-(Ethylthio)benzothiazole2757-92-8Benzothiazole, 2-(ethylthio)-EthylcaptaxEthyl mercaptobenzthiazoleDX7DL9WEA82-EthylmercaptobenzothiazoleEINECS 220-418-9NSC 45348NSC-45348DTXSID60626282-(ETHYLTHIO)BENZOTHIAZOLE [WHO-DD]
이름 더 보기
2-(에틸티오)벤조티아졸2-(ethylthio)-benzothiazol2-(ethylthio)-1,3-benzothiazoleBenzothiazole, 2-(ethylthio)- (6CI,7CI,8CI,9CI)
RefChem:460955DTXCID1037696220-418-92-(Ethylsulfanyl)-1,3-benzothiazole2-ethylsulfanyl-1,3-benzothiazole2-(Ethylthio)benzo[d]thiazole2-ethylthiobenzothiazoleNSC45348
데이터베이스 식별자
- CAS
2757-92-8- PubChem CID
- 75993
- DTXSID
DTXSID6062628- UNII
- DX7DL9WEA8
- EC Number
- 220-418-9
- Nikkaji
- J299.218C
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 151
물리화학적 성질
- 녹는점
- 26 °C · 26 °C
- 끓는 점
- 178 °C18 · 178 °C18 mm Hg(lit.)
- 밀도
- 1.226 g/mL · 1.226 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.658(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- room temp
- 산도 계수 (pKa)
- 1.04 · 1.04±0.10(Predicted)
- 물리적 상태
- liquid
- 주요 응용
- 진단 검사 제조혈액학조직학
- InChI
- 1S/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
- InChIKey
- HKIQFQKRAQSUJI-UHFFFAOYSA-N
- SMILES
- CCSc1nc2ccccc2s1
- EPA
- 2 · Benzothiazole, 2-(ethylthio)- (2757-92-8)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzothiazole, 2-(ethylthio)-: INACTIVE
응용 분야
용도2-(Ethylthio)benzothiazole is a cellular dye/stain. Dyes and metabolites.
공급사5 곳
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
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