Home Other Building Blocks 1-[4-(Methylthio)phenyl]piperazine

1-[4-(Methylthio)phenyl]piperazine

CAS No.:
80835-30-9
Catalog Number:
AG01FFX7
Molecular Formula:
C11H16N2S
Molecular Weight:
208.3231
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Product Description
Catalog Number:
AG01FFX7
Chemical Name:
1-[4-(Methylthio)phenyl]piperazine
CAS Number:
80835-30-9
Molecular Formula:
C11H16N2S
Molecular Weight:
208.3231
MDL Number:
MFCD12164739
IUPAC Name:
1-(4-methylsulfanylphenyl)piperazine
InChI:
InChI=1S/C11H16N2S/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChI Key:
XZVSQQZKZDSREW-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)N1CCNCC1
Properties
Complexity:
161  
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:
1.7  
Properties