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1013-24-7 | Piperazine, 1-[2-(methylthio)phenyl]-
CAS No: 1013-24-7 Catalog No: AG000462 MDL No:MFCD00040795
Product Description
Catalog Number:
AG000462
Chemical Name:
Piperazine, 1-[2-(methylthio)phenyl]-
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
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
Literature
| Title | Journal |
|---|---|
| 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 of medicinal chemistry 20080925 |
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