METHYL 3-[5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-2-THIOPHENECARBOXYLATE

CAS号
CCD编号
CCD00085394
分子式
C11 H7 N3 O4 S
分子量
277.259

基本信息

产品名称: METHYL 3-[5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-2-THIOPHENECARBOXYLATE
英文同义词: METHYL 3-[5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-2-THIOPHENECARBOXYLATE
MDL号: MFCD00172924
氢键受体数量: 7
氢键供体数量: 1
Smile: COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N
InChi: InChI=1S/C11H7N3O4S/c1-18-10(16)8-7(2-3-19-8)14-5-6(4-12)9(15)13-11(14)17/h2-3,5H,1H3,(H,13,15,17)
InChiKey: InChIKey=DRBNOTRZKNVMGE-UHFFFAOYSA-N

性质

熔点: 260-262 DEG
注解: WARNINGS: IRRITANT

安全信息

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