291-98-5 ((1,3-Dithiepin)

快速询单

结构式：

1,3-DithiepinMOL文件

CAS号：

291-98-5

英文名称：

1,3-Dithiepin

分子式：

C₅H₆S₂

分子量：

130.231138706207

1,3-Dithiepin(291-98-5)名称与标识符

名称

英文别名：

1,3-Dithiepin;1,3-dithiepine;SCHEMBL2693105;DTXSID70483801;291-98-5;

标识符

InChIKey：

YKKMFMDOXFLWNK-UHFFFAOYSA-N

Inchi：

1S/C5H6S2/c1-2-4-7-5-6-3-1/h1-4H,5H2

SMILES：

S1C=CC=CSC1

1,3-Dithiepin(291-98-5)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 129.99118
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 : 129.99109254g/mol
重原子数量 : 7
复杂度 : 82.3
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 : 50.6Å²

1,3-Dithiepin(291-98-5)相关文献

1. Atropisomeric sulphur compounds in organic synthesis: generation and reactions of the carbanions of dinaphtho[2,1-d:1′,2′-f][1,3]dithiepine and its oxides
Giovanna Delogu,Ottorino De Lucchi,Giulia Licini J. Chem. Soc. Chem. Commun. 1989 411
2. Cyclisation of 2-substituted 2-bromomethyl-1,3-dioxacyclohept-5-enes; hydrogen transfer reactions of 1,3-dioxacyclohept-5-enes and 1,3-dithiacyclohept-5-enes
Andrew C. Hindson,Finlay MacCorquodale,John C. Walton J. Chem. Soc. Perkin Trans. 2 1993 871
3. Recent advances in the ring-opening polymerization of sulfur-containing monomers
Vishal B. Purohit,Marlena Pi?ta,Joanna Pietrasik,Christopher M. Plummer Polym. Chem. 2022 13 4858
4. Synthesis of novel macrocyclic compounds containing sulphur or oxygen in the ring: thia- and oxa-cyclophanes. Mass spectral and other studies
David W. Allen,Peter N. Braunton,Ian T. Millar,John C. Tebby J. Chem. Soc. C 1971 3454
5. Synthesis, antimicrobial evaluation and molecular modeling of some novel phenothiazine derivatives
Ahmed A. Fadda,Ahmed Fekri,Nesma M. Bayoumy RSC Adv. 2015 5 80844
6. Versatility of radical coupling in construction of topological polymers
Guowei Wang,Junlian Huang Polym. Chem. 2014 5 277
7. Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule
Julien Lieffrig,Ronan Le Pennec,Olivier Jeannin,Pascale Auban-Senzier,Marc Fourmigué CrystEngComm 2013 15 4408
8. One-pot self-coupling concurrent living polymerizations of inimers to synthesize hyperbranched-linking-hyperbranched polymer cylinders via cyclic trithiocarbonate
Wei Li,Xiaoying Zhao,Hewen Liu Polym. Chem. 2014 5 1905
9. Contents pages
J. Chem. Soc. Chem. Commun. 1989 P025

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