292-14-8 (1,4-thiazepine,1,4-Thiazepine)

快速询单

结构式：

1,4-thiazepineMOL文件

CAS号：

292-14-8

中文名称：

1,4-thiazepine

英文名称：

1,4-Thiazepine

分子式：

C₅H₅NS

分子量：

111.164899587631

1,4-thiazepine(292-14-8)名称与标识符

名称

中文别名：

1,4-thiazepine;

英文别名：

QPPOMEOQNLTFRU-UHFFFAOYSA-N;Q2351340;SCHEMBL331225;DTXSID50498493;1,4thiazepine;DTXCID90449303;CP3LLG6M8Q;292-14-8;1,4-Thiazepine;

标识符

InChIKey：

QPPOMEOQNLTFRU-UHFFFAOYSA-N

Inchi：

1S/C5H5NS/c1-2-6-3-5-7-4-1/h1-5H

SMILES：

S1C=CN=CC=C1

1,4-thiazepine(292-14-8)物化性质

计算特性

精确分子量 : 111.01427034Da
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 111.01427034Da
重原子数量 : 7
复杂度 : 124
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.3
拓扑分子极性表面积 : 37.7Å²

1,4-thiazepine(292-14-8)相关文献

1. A new strategy for the synthesis of pyridines from N-propargylic β-enaminothiones
Yilmaz Kelgokmen,Metin Zora Org. Biomol. Chem. 2019 17 2529
2. A sequential synthetic strategy towards unexplored dibenzo[b,f][1,4]thiazepine carboxamides: copper catalysed C–S cyclisation followed by Ugi type 3CC cascade
Debasmita Saha,Preeti Wadhwa,Anuj Sharma RSC Adv. 2015 5 33067
3. A transition metal-free tandem process to pyridazinopyrido[3,2-f][1,4]thiazepine-diones via Smiles rearrangement
Xiaoyi Niu,Bingchuan Yang,Yanqiu Li,Shuai Fang,Zixiao Huang,Caixia Xie,Chen Ma Org. Biomol. Chem. 2013 11 4102
4. Benzothiazepines: chemistry of a privileged scaffold
Debasmita Saha,Garima Jain,Anuj Sharma RSC Adv. 2015 5 70619
5. Ultrasound promoted catalyst-free and selective synthesis of spiro[indole-3,4′-pyrazolo[3,4-e][1,4]thiazepines] in aqueous media and evaluation of their anti-hyperglycemic activity
Anshu Dandia,Ruby Singh,Jyoti Joshi,Shuchi Maheshwari,Pragya Soni RSC Adv. 2013 3 18992
6. Asymmetric hydrogenation of dibenzo-fused azepines with chiral cationic ruthenium diamine catalysts
Zi-Qi Yi,Bo-Wen Deng,Fei Chen,Yan-Mei He,Qing-Hua Fan New J. Chem. 2023 47 11492
7. Reduction of nitro- and nitroso-compounds by tervalent phosphorus reagents. Part IX. The ‘blocked ortho’ effect in reactions of 2,6-di-substituted aryl 2-nitrophenyl and 2,6-disubstituted aryl 2-azidophenyl sulphides: a new series of nitrene-induced aromatic rearrangements
J. I. G. Cadogan,S. Kulik J. Chem. Soc. C 1971 2621
8. A new aromatic rearrangement involving a nitrene: synthesis of the 5,11-dihydrodibenzo[b,e]-1,4-thiazepine ring system
J. I. G. Cadogan,S. Kulik J. Chem. Soc. D 1970 233
9. The new synthesis of pyrrole-fused dibenzo[b,f][1,4]oxazepine/thiazepines by the pseudo-Joullié–Ugi reaction via an unexpected route with high chemoselectivity
Mohammad Taghi Nazeri,Masoomeh Ahmadi,Maryam Ghasemi,Ahmad Shaabani,Behrouz Notash Org. Biomol. Chem. 2023 21 4095
10. Studies related to penicillins. Part IV. The rearrangement of penicillanic acid derivatives to 1,4-thiazepines
J. P. Clayton,R. Southgate,B. G. Ramsay,R. J. Stoodley J. Chem. Soc. C 1970 2089

292-14-8 (1,4-thiazepine,1,4-Thiazepine)

1,4-thiazepine(292-14-8)名称与标识符

名称

标识符

1,4-thiazepine(292-14-8)物化性质

计算特性

1,4-thiazepine(292-14-8)相关文献

目录