기본 정보
- CAS
60093-05-2- 표준 SMILES
COC(=O)c1sc(SC)nc1N- InChIKey
GVNAJKLESILZHU-UHFFFAOYSA-N- 분자식
- C6H8N2O2S2
- 평균 분자량
- 204.3 g/mol
- 단동위원소 질량
- 204.0027195
이름 및 식별자
- 우선 이름
- Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate
- IUPAC
- methyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate
- 영어명
- 4-Amino-2-methylthio-5-thiazolecarboxylic acid methyl ester
- 분자식
- C6H8N2O2S2
- 분자량
- 204.27
이름 및 동의어
60093-05-2Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylateDTXSID40346055RefChem:355533DTXCID30297128671-414-2Methyl 4-amino-2-(methylthio)thiazole-5-carboxylate4-amino-2-methylthio-thiazole-5-carboxylic acid methyl ester4-Amino-2-methylthio-5-thiazolecarboxylic acid methyl esterMFCD00799293methyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylateMethyl 4-amino-2-(methylthio)-thiazole-5-carboxylate
이름 더 보기
RMA03291 RSTIMTEC-BB SBB005521thiazole-5-carboxylateMethyl 4-amino-2-(methylthio)4-Amino-2-methylthio-5-thiazolecarboxylic acidMETHYL 4-AMINO-2-(METHYLTHIO)-5-THIAZOLECARBOXYLATEMethyl 4-Amino-2-(methylthin)-5-thiazolecarboxylate4-Amino-2-methoxy-5-thiazole carboxylate methyl ester
AKOS005716769SMR000459487methyl 4-amino-2-methylthio-1,3-thiazole-5-carboxylatemethyl 4-amino-2-(methylthio)-1,3-thiazole-5-carboxylateMethyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate #Maybridge3_003561A832594MLS000860703
데이터베이스 식별자
- CAS
60093-05-2- PubChem CID
- 609212
- DTXSID
DTXSID40346055- ChEMBL
CHEMBL1420183- EC Number
- 671-414-2
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 179
실험 및 물리화학적 성질
Solubility30.4 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 103.5 °C · 103.5 °C
- 끓는 점
- 359.5 · 359.5±45.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 0.99 · 0.99±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
공급사45 곳
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
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