8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Modify Date: 2025-08-25 09:08:15

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure
8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine structure
 Common Name 8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CAS Number 115765-00-9 Molecular Weight 414.90800
Density 1.38g/cm3 Boiling Point 596.8ºC at 760 mmHg
Molecular Formula C20H19ClN4O2S Melting Point N/A
MSDS N/A Flash Point 314.7ºC

 Names

Name 8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

 Chemical & Physical Properties

Density 1.38g/cm3
Boiling Point 596.8ºC at 760 mmHg
Molecular Formula C20H19ClN4O2S
Molecular Weight 414.90800
Flash Point 314.7ºC
Exact Mass 414.09200
PSA 86.83000
LogP 3.58750
Vapour Pressure 3.31E-14mmHg at 25°C
Index of Refraction 1.673
InChIKey HLGKYSNIPGJMBD-UHFFFAOYSA-N
SMILES COc1ccc(C2=NCc3nnc(CSC)n3-c3ccc(Cl)cc32)cc1OC

 Synthetic Route

ethyl(methylthio)acetic hydrazide structure

ethyl(methylthi...

CAS#:74085-88-4

7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-thione structure

7-chloro-5-(3,4...

CAS#:115103-03-2

~67%

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure

8-chloro-6-(3,4...

CAS#:115765-00-9

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372
3,4-Dimethoxyphenylacetonitrile structure

3,4-Dimethoxyph...

CAS#:93-17-4

~%

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure

8-chloro-6-(3,4...

CAS#:115765-00-9

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372
2-amino-5-chloro-3',4'-dimethoxybenzophenone structure

2-amino-5-chlor...

CAS#:94100-07-9

~%

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure

8-chloro-6-(3,4...

CAS#:115765-00-9

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372
5-chloro-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole structure

5-chloro-3-(3,4...

CAS#:94100-08-0

~%

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure

8-chloro-6-(3,4...

CAS#:115765-00-9

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372
7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one structure

7-chloro-5-(3,4...

CAS#:105278-81-7

~%

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure

8-chloro-6-(3,4...

CAS#:115765-00-9

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372
5-chloro-3',4'-dimethoxy-2-(phthalimidoacetamido)benzophenone structure

5-chloro-3',4'-...

CAS#:105278-82-8

~%

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure

8-chloro-6-(3,4...

CAS#:115765-00-9

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372
4-Chloronitrobenzene structure

4-Chloronitrobenzene

CAS#:100-00-5

~%

8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Structure

8-chloro-6-(3,4...

CAS#:115765-00-9

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372
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Chemsrc provides CAS#:115765-00-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine>> amp version: 8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

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