54865-01-9 (3,5-dichloro-1,2,6-thiadiazin-4-one,3,5-Dichloro-4H-1,2,6-thiadiazin-4-one)

快速询单

结构式：

3,5-dichloro-1,2,6-thiadiazin-4-oneMOL文件

CAS号：

54865-01-9

中文名称：

3,5-dichloro-1,2,6-thiadiazin-4-one

英文名称：

3,5-Dichloro-4H-1,2,6-thiadiazin-4-one

分子式：

C₃Cl₂N₂OS

分子量：

183.01589679718

3,5-dichloro-1,2,6-thiadiazin-4-one(54865-01-9)名称与标识符

名称

中文别名：

3,5-dichloro-1,2,6-thiadiazin-4-one;

英文别名：

SCHEMBL9309939;CHEMBL1990186;DTXSID00326611;NSC603974;ZKHPZXACANWNKQ-UHFFFAOYSA-N;NSC-603974;NCI60_004609;3,5-Dichloro-4H-1,2,6-thiadiazin-4-one;54865-01-9;

标识符

InChIKey：

ZKHPZXACANWNKQ-UHFFFAOYSA-N

Inchi：

1S/C3Cl2N2OS/c4-2-1(8)3(5)7-9-6-2

SMILES：

ClC1C(C(=NSN=1)Cl)=O

3,5-dichloro-1,2,6-thiadiazin-4-one(54865-01-9)物化性质

计算特性

精确分子量 : 181.9108392Da
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 181.9108392Da
重原子数量 : 9
复杂度 : 192
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） : 2.2
拓扑分子极性表面积 : 67.1Å²

3,5-dichloro-1,2,6-thiadiazin-4-one(54865-01-9)相关文献

1. Cyclisation chemistry of 4H-1,2,6-thiadiazines
Panayiotis A. Koutentis,Charles W. Rees J. Chem. Soc. Perkin Trans. 1 2000 2601
2. Spectroscopic characterization of C-4 substituted 3,5-dichloro-4H-1,2,6-thiadiazines
Eleni Theodorou,Heraklidia A. Ioannidou,Theodosia A. Ioannou,Andreas S. Kalogirou,Christos P. Constantinides,Maria Manoli,Panayiotis A. Koutentis,Sophia C. Hayes RSC Adv. 2015 5 18471
3. 4H-1,2,6-Thiadiazine-containing donor–acceptor conjugated polymers: synthesis, optoelectronic characterization and their use in organic solar cells
Christos L. Chochos,Andreas S. Kalogirou,Tengling Ye,Elisavet Tatsi,Athanasios Katsouras,Georgia A. Zissimou,Vasilis G. Gregoriou,Apostolos Avgeropoulos,Panayiotis A. Koutentis J. Mater. Chem. C 2018 6 3658
4. 4H-1,2,6-Thiadiazin-4-one-containing small molecule donors and additive effects on their performance in solution-processed organic solar cells
Felix Hermerschmidt,Andreas S. Kalogirou,Jie Min,Georgia A. Zissimou,Sachetan M. Tuladhar,Tayebeh Ameri,Hendrik Faber,Grigorios Itskos,Stelios A. Choulis,Thomas D. Anthopoulos,Donal D. C. Bradley,Jenny Nelson,Christoph J. Brabec,Panayiotis A. Koutentis J. Mater. Chem. C 2015 3 2358
5. Reaction of tetracyanoethylene with SCl2; new molecular rearrangements
Panayiotis A. Koutentis,Charles W. Rees J. Chem. Soc. Perkin Trans. 1 2000 1089
6. Cyclopentathiadiazines, new heterocyclic materials from cyclic enaminonitriles
Sonia Macho,Daniel Miguel,Ana G. Neo,Teresa Rodríguez,Tomás Torroba Chem. Commun. 2005 334
7. Some cyclization reactions of 1,3-diphenylbenzo[e][1,2,4]triazin-7(1H)-one: preparation and computational analysis of non symmetrical zwitterionic biscyanines
Theodosia A. Ioannou,Panayiotis A. Koutentis,Harry Krassos,Georgia Loizou,Daniele Lo Re Org. Biomol. Chem. 2012 10 1339

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54865-01-9 (3,5-dichloro-1,2,6-thiadiazin-4-one,3,5-Dichloro-4H-1,2,6-thiadiazin-4-one)

3,5-dichloro-1,2,6-thiadiazin-4-one(54865-01-9)名称与标识符

名称

标识符

3,5-dichloro-1,2,6-thiadiazin-4-one(54865-01-9)物化性质

计算特性

3,5-dichloro-1,2,6-thiadiazin-4-one(54865-01-9)相关文献

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