Home Other Building Blocks 1013-24-7
1013-24-7,MFCD00040795
Catalog No.:AA00043A
1013-24-7 | 1-(2-Methylmercaptophenyl)piperazine
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  • Technical Information
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Technical Information
Catalog Number:
AA00043A
Chemical Name:
1-(2-Methylmercaptophenyl)piperazine
CAS Number:
1013-24-7
Molecular Formula:
C11H16N2S
Molecular Weight:
208.3231
MDL Number:
MFCD00040795
IUPAC Name:
1-(2-methylsulfanylphenyl)piperazine
InChI:
InChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChI Key:
RXJURXTXLCOIDY-UHFFFAOYSA-N
SMILES:
CSc1ccccc1N1CCNCC1
Properties
Computed Properties
 
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.103g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.323g/mol
Monoisotopic Mass:
208.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
1013-24-7 
1-(2-Methylmercaptophenyl)piperazine 
methylsulfanylphenylpiperazine 
SCHEMBL336256 
CHEMBL504293 
CTK3J9686 
1-methylthio-2-piperazinylbenzene 
DTXSID40371685 
RXJURXTXLCOIDY-UHFFFAOYSA-N 
1-(2-methylthiophenyl)-piperazine 
KS-00002B5O 
ZINC2390002 
1-[2-(Methylsulfanyl)phenyl]piperazine 
7339AC 
MFCD00040795 
AKOS005765925 
MCULE-8670653307 
RP12140 
SS-4074 
VP70107 
1-(2-methylsulfanyl-phenyl)-piperazine 
1-[2-(methylmercapto)phenyl]piperazine 
DB-008740 
1-[2-(methylthio)phenyl]piperazine 
TR-000363 
FT-0081074 
FT-0633245 
ST51042068 
1-(2-methylmercaptophenyl)piperazine, AldrichCPR 
I13-509 
J-502880 
C11H16N2S 
CID2736895 
1-(2-(Methylthio)phenyl)piperazine 
Piperazine,1-[2-(methylthio)phenyl]- 
1-(2-methylthiophenyl)piperazine 
1-(2-methylsulfanylphenyl)piperazine 
Piperazine, 1-[2-(methylthio)phenyl]- 
AC1MC6H3 
Literature

Title: Structural modifications of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinehexanamides: influence on lipophilicity and 5-HT7 receptor activity. Part III.

Journal: Journal of medicinal chemistry 20080925

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