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기본 정보
- CAS
17417-67-3- 표준 SMILES
CCOC(=O)c1sc2nc[nH]c(=O)c2c1C- InChIKey
ZPNFLBDMBNUQAI-UHFFFAOYSA-N- 분자식
- C10H10N2O3S
- 평균 분자량
- 238.27 g/mol
- 단동위원소 질량
- 238.04121336
이름 및 식별자
- 우선 이름
- Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
- 영어명
- Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxylate
- 분자식
- C10H10N2O3S
- 분자량
- 238.26
이름 및 동의어
17417-67-3ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylateEthyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxylateethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylateMFCD001682405-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl esterethyl 5-methyl-4-oxo-1H,4H-thieno[2,3-d]pyrimidine-6-carboxylateEthyl 5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylateethyl 4-hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylateethyl 5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylateZPNFLBDMBNUQAI-UHFFFAOYSA-NChemDiv3_001349
이름 더 보기
AURORA 20245AKOS BBS-00002543VITAS-BB TBB013026OTAVA-BB 7012340066OTAVA-BB BB7012340066
MLS000067641SCHEMBL263943CHEMBL1582655DTXSID20352654HMS1476N07HMS2170D11HMS3319F13HMS5089P17
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 96 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 345
물리화학적 성질
- 녹는점
- 230 °C · >230°C
- 끓는 점
- 481.7 · 481.7±45.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 10.92 · 10.92±0.20(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C10H10N2O3S/c1-3-15-10(14)7-5(2)6-8(13)11-4-12-9(6)16-7/h4H,3H2,1-2H3,(H,11,12,13)
- InChIKey
- ZPNFLBDMBNUQAI-UHFFFAOYSA-N
- SMILES
- O=C1C2=C(N=CN1)SC(C(OCC)=O)=C2C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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 2 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. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
상류 원료
공급사9 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
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