기본 정보
- CAS
144060-98-0- 표준 SMILES
Cc1nc(-c2ccncc2)sc1C(=O)O- InChIKey
WAIPVXWDQQHMQG-UHFFFAOYSA-N- 분자식
- C10H8N2O2S
- 평균 분자량
- 220.25 g/mol
- 단동위원소 질량
- 220.0306485
이름 및 식별자
- 우선 이름
- 2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
- IUPAC
- 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
- 영어명
- 4-methyl-2-pyrid-4-yl-1,3-thiazole-5-carboxylic acid
- 분자식
- C10H8N2O2S
- 분자량
- 220.25
이름 및 동의어
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acidRefChem:458316623-968-1144060-98-04-Methyl-2-(pyridin-4-yl)thiazole-5-carboxylic acid4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic Acid4-methyl-2-pyrid-4-yl-1,3-thiazole-5-carboxylic acid4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylic acidMFCD001717574-methyl-2-(4-pyridyl)thiazole-5-carboxylic acid4-Methyl-2-pyridin-4-yl-thiazole-5-carboxylic acidDTXSID20363285
이름 더 보기
ST54034874-methyl-2-(4-pyridyl)-5-thiazolecarboxylic acid4-Methyl-2-(4-pyridinyl)-5-thiazolecarboxylic acid4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylicaci2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid 97%
5-Thiazolecarboxylic acid, 4-methyl-2-(4-pyridinyl)-4-methyl-2-(4-pyridyl)-1,3-thiazole-5-carboxylic acid2-(4-Pyridyl)-4-methyl-thiazole-5-Carboxylic Acid4-Methyl-2-(pyridin-4-yl)thiazole-5-carboxylicacidSCHEMBL3328924HMS5214G12ALBB-026645SBB027441
데이터베이스 식별자
- CAS
144060-98-0- PubChem CID
- 1483713
- DTXSID
DTXSID20363285- EC Number
- 623-968-1
- Nikkaji
- J3.161.833I
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 91.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 244
물리화학적 성질
- 녹는점
- 290 · 290-313 °C
- 끓는 점
- 467 ℃ · 467℃
- 밀도
- 1.381 · 1.381
- 인화점
- 236 ℃ · 236℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2.5 mg/ml; · DMF: 2.5 mg/ml; DMSO: 2.5 mg/ml; DMSO:PBS(pH7.2) 1:1: 0.5 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 1.71 · 1.71±0.37(Predicted)
- InChI
- 1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
- InChIKey
- WAIPVXWDQQHMQG-UHFFFAOYSA-N
- SMILES
- Cc1nc(sc1C(O)=O)-c2ccncc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2934100090
- risk_code
- 36-36/37/38-22
- hazard_code
- Xi
- safety_code
- 26-36/37/39-22
- 위험 등급
- IRRITANT
- 위험 참고 사항
- Harmful
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사36 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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MedBio脉铂医药021-69568360 18916172912 · [email protected]
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