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3-Benzyl-7-tert-butyl-2-sulfanyl-5H,6H,7H,8H-pyrimido[4,5-b]benzothiophen-4-one
结构式
基本信息
Empirical Formula【经验(实验)分子式】 | C21H24N2OS2 |
Molecular weight | 384.56 |
MDL number | MFCD01880268 |
PubChem Substance ID【PubChem化学物质编号】 | 329827534 |
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 | O=C1N(CC2=CC=CC=C2)C(S)=NC(S3)=C1C(CC4)=C3CC4C(C)(C)C |
InChI | 1S/C21H24N2OS2/c1-21(2,3)14-9-10-15-16(11-14)26-18-17(15)19(24)23(20(25)22-18)12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,22,25) |
InChI key | UEAGJAYIKACJKS-UHFFFAOYSA-N |
安全信息
Pictograms【象形图】 | GHS07 |
Signal word【警示用语:】 | Warning |
Hazard Statements | H302 |
Hazard Classifications【危险分类】 | Acute Tox. 4 Oral |
Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
WGK | WGK 3 |