39178-11-5 ((Disulfide,di-1-naphthalenyl)

快速询单

结构式：

Disulfide,di-1-naphthalenylMOL文件

CAS号：

39178-11-5

英文名称：

Disulfide,di-1-naphthalenyl

分子式：

C₂₀H₁₄S₂

分子量：

318.455162525177

Disulfide,di-1-naphthalenyl(39178-11-5)名称与标识符

名称

英文别名：

Disulfide,di-1-naphthalenyl;1-Naphthyl disulfide;1,1'-dinaphthyl disulfide;1,2-di(naphthalen-1-yl)disulfane;2-(N,N-dimethylammino)-2,3-diphenylpropionitrile;AC1L5TOJ;AC1Q4QS4;AG-J-85016;AR-1C9064;CTK4H7520;di(1-naphthyl)disulfide;di-[1]naphthyl disulfide;di-1-naphthyl disulfide;dinaphthyl disulfide;NSC133547;bis(1-naphthyl)disulfide;NSC403321;1-(1-naphthyldithio)naphthalene;1-(1-naphthyldisulfanyl)naphthalene;1,1'-Disulfanediyldinaphthalene;DTXSID40959962;NSC-403321;39178-11-5;SCHEMBL253961;TXIBBNMZMRYADF-UHFFFAOYSA-N;

标识符

InChIKey：

TXIBBNMZMRYADF-UHFFFAOYSA-N

Inchi：

1S/C20H14S2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

SMILES：

S(C1=CC=CC2=CC=CC=C21)SC1=CC=CC2=CC=CC=C21

Disulfide,di-1-naphthalenyl(39178-11-5)物化性质

实验特性

LogP : 6.79240
PSA : 0
折射率 : 1.775
沸点 : 494ºC at 760mmHg
闪点 : 327.5ºC
密度 : 1.29g/cm3

计算特性

精确分子量 : 318.05382
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 318.054
重原子数量 : 22
复杂度 : 322
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） : 6.5
拓扑分子极性表面积 : 50.6Å²

Disulfide,di-1-naphthalenyl(39178-11-5)相关文献

1. Extended hypervalent E′?E–E?E′ 4c–6e (E, E′ = Se, S) interactions: structure, stability and reactivity of 1-(8-PhE′C10H6)EE(C10H6E′Ph-8′)-1′
Waro Nakanishi,Satoko Hayashi,Sayuri Morinaka,Takahiro Sasamori,Norihiro Tokitoh New J. Chem. 2008 32 1881
2. Base-mediated chalcogenoaminative annulation of 2-alkynylanilines for direct access to 3-sulfenyl/selenyl-1H-indoles
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3. Cryovoltammetrically probing functional group reductive cleavage: alkyl–sulfur versus aryl–sulfur bond cleavage in an alkyl naphthyl thioether under single electron-transfer is temperature switchable
Christopher A. Paddon,Farrah L. Bhatti,Timothy J. Donohoe,Richard G. Compton Chem. Commun. 2006 3402
4. Convenient one-pot method for the preparation of polysubstituted benzo[b]- and naphtho[1,2-b]-furans and -thiophenes
Alan R. Katritzky,Larisa Serdyuk,Linghong Xie J. Chem. Soc. Perkin Trans. 1 1998 1059
5. Unprecedented amidation of ‘transient’ aryl thioaldehydes by N,N-dimethylformamide under basic conditions
Basudeb Basu,Samir Kundu New J. Chem. 2014 38 3367
6. Cs2CO3-promoted methylene insertion into disulfide bonds using acetone as a methylene source
Qian Chen,Guodian Yu,Xiaofeng Wang,Yulin Huang,Yan Yan,Yanping Huo Org. Biomol. Chem. 2018 16 4086
7. Electron capture activation of the disulfide bond. The role of the asymmetry and electronegativity
José A. Gámez,Luis Serrano-Andrés,Manuel Yá?ez Phys. Chem. Chem. Phys. 2010 12 1042
8. Regioselective transition metal- and halogen-free direct dithiolation at C(sp3)–H of nitrotoluenes with diaryl disulfides
Shailesh Kumar,Rahul Kadu,Sangit Kumar Org. Biomol. Chem. 2016 14 9210

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