257891-65-9 ((Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-)

快速询单

结构式：

Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-MOL文件

CAS号：

257891-65-9

英文名称：

Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-

分子式：

C₁₆H₂₀ClN₃S

分子量：

321.868101119995

Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-(257891-65-9)名称与标识符

名称

英文别名：

Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-;8-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol;imidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-;Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-;5-Chloro-8-methyl-7-(3-methylbut-2-en-1-yl)-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulene-1(2H)-thione;SCHEMBL3145162;4,5,6,7-tetrahydro-8-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo[4,5,1-jk][1,4]benzodiazepine-2(1h )-thione;R 86183; TIBO-R 86183;257891-65-9;CHEMBL306904;8-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione;BDBM50050814;4,5,6,7-Tetrahydro-5alpha-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione;Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-;DTXSID00869876;G67176;7-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.0?,(1)(3)]trideca-4,6,8(13)-triene-2-thione;

标识符

InChIKey：

ZNFFMCYSMBXZQU-UHFFFAOYSA-N

Inchi：

1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)

SMILES：

ClC1=CC=C2C3=C1CN(C/C=C(\C)/C)C(C)CN3C(N2)=S

Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-(257891-65-9)物化性质

实验特性

PSA : 18.51
折射率 : 1.67
沸点 : 441.9°C at 760 mmHg
闪点 : 221°C
密度 : 1.3

计算特性

精确分子量 : 321.1069
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 321.107
重原子数量 : 21
复杂度 : 449
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 : 1
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） : 3.5
拓扑分子极性表面积 : 50.6Å²

Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-(257891-65-9)推荐厂家更多厂家(2)

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上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364		询单
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Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-(257891-65-9)相关文献

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