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6-(4-Isopropylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
结构式
基本信息
Empirical Formula【经验(实验)分子式】 | C14H13N3OS |
Molecular weight | 271.34 |
MDL number | MFCD00736215 |
PubChem Substance ID【PubChem化学物质编号】 | 329819939 |
Other Notes【其他说明】 | Please note that sigma-aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. sigma-aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY, (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE, OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY, WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE. |
产品性质
SMILES string | N#CC1=C(C2=CC=C(C(C)C)C=C2)NC(NC1=O)=S |
InChI | 1S/C14H13N3OS/c1-8(2)9-3-5-10(6-4-9)12-11(7-15)13(18)17-14(19)16-12/h3-6,8H,1-2H3,(H2,16,17,18,19) |
InChI key | YHCINZDPOKTYIF-UHFFFAOYSA-N |
安全信息
Pictograms【象形图】 | GHS06 |
Signal word【警示用语:】 | Danger |
Hazard Statements | H301 |
Precautionary Statements | P301 + P310 |
Hazard Classifications【危险分类】 | Acute Tox. 3 Oral |
Storage Class Code【储存分类代码】 | 6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects |
WGK | WGK 3 |