433249-32-2 ((1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE)

快速询单

结构式：

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONEMOL文件

CAS号：

433249-32-2

英文名称：

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE

分子式：

C₁₇H₁₆N₄S₂

分子量：

340.465740203857

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE(433249-32-2)名称与标识符

名称

英文别名：

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE;BRD-K75297647-001-01-4;BYH;HMS1544G18;SR-01000537551-1;BRD2-interactive compound-1;AG-670/40909956;STK767484;CHEMBL1738777;GLXC-02102;1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione;1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methylbenzimidazole-2-thione;BIC1;SCHEMBL8248939;Q27075235;GTPL7510;BDBM50365462;Oprea1_027553;433249-32-2;SR-01000537551;AKOS003573654;TimTec1_003670;

标识符

InChIKey：

KDPSGIFCBZTBEZ-UHFFFAOYSA-N

Inchi：

1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)

SMILES：

S(C1=NC2C=CC=CC=2N1)CCN1C(N(C)C2C=CC=CC1=2)=S

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE(433249-32-2)物化性质

计算特性

精确分子量 : 340.08163887Da
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 340.08163887Da
重原子数量 : 23
复杂度 : 446
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） : 3.6
拓扑分子极性表面积 : 92.6Å²

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE(433249-32-2)相关文献

1. Formation of subvalent bismuth cations in molten gallium trichloride and benzene solutions
Stefan Ulvenlund,Lars Bengtsson-Kloo,Kenny St?hl J. Chem. Soc. Faraday Trans. 1995 91 4223
2. Synthetic studies on cobalt carbonyl complexes containing antimony and bismuth. Crystal structures of [SbO(OH){Co(CO)3L}2][L = PPh3 or P(C6H4Me-p)3]
William Clegg,Neville A. Compton,R. John Errington,David C. R. Hockless,Nicholas C. Norman,Martin Ramshaw,Peter M. Webster J. Chem. Soc. Dalton Trans. 1990 2375
3. Synthetic studies on cobalt carbonyl complexes containing antimony and bismuth. Crystal structures of [SbO(OH){Co(CO)3L}2][L = PPh3 or P(C6H4Me-p)3]
William Clegg,Neville A. Compton,R. John Errington,David C. R. Hockless,Nicholas C. Norman,Martin Ramshaw,Peter M. Webster J. Chem. Soc. Dalton Trans. 1990 2375
4. Phase diagrams and volumes of mixing in binary systems of molten bismuth(III) chloride with alkali-metal chlorides
C. C. Addison,W. D. Halstead J. Chem. Soc. A 1966 1236
5. Raman spectra of gaseous, liquid, and solid bismuth trichloride. Resonance fluorescence spectra of gaseous BiCl and BiBr
E. Denchik,S. C. Nyburg,G. A. Ozin,J. T. Szymanski J. Chem. Soc. A 1971 3157
6. XXXIX.—Contributions from the Laboratory of Gonville and Caius College, Cambridge. No. 1.—On conditions affecting the equilibrium of certain chemical systems
M. M. Pattison Muir J. Chem. Soc. Trans. 1879 35 311
7. Synthesis and crystallographic studies of crown thioether complexes of bismuth(III)
Gerald R. Willey,Miles T. Lakin,Nathaniel W. Alcock J. Chem. Soc. Dalton Trans. 1992 591
8. Bismuth complexes containing Mn(CO)5 and Re(CO)5 fragments. Synthetic studies and structural characterisation by solid- and solution-state extended X-ray absorption fine structure spectroscopy
Neville A. Compton,R. John Errington,George A. Fisher,Nicholas C. Norman,Peter M. Webster,Penelope S. Jarrett,Stephen J. Nicholls,A. Guy Orpen,Susan E. Stratford,Nicholas A. L. Williams J. Chem. Soc. Dalton Trans. 1991 669
9. Inhibition of bromodomain-mediated protein–protein interactions as a novel therapeutic strategy
Silviya D. Furdas,Luca Carlino,Wolfgang Sippl,Manfred Jung Med. Chem. Commun. 2012 3 123
10. Synthetic and structural studies on organomolybdenum and organotunsten complexes containing bismuth. X-Ray crystal structures of [BiCl{Mo(CO)3(η-C5H5)}2] and [BiCl{Mo(CO)2(CNBut)(η-C5H5)}2]
William Clegg,Neville A. Compton,R. John Errington,Nicholas C. Norman,Andrew J. Tucker,Mark J. Winter J. Chem. Soc. Dalton Trans. 1988 2941

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433249-32-2 ((1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE)

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE(433249-32-2)名称与标识符

名称

标识符

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE(433249-32-2)物化性质

计算特性

1-(2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)ETHYL)-3-METHYL-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE(433249-32-2)相关文献

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