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1-{[4-(methylsulfanyl)phenyl]methyl}piperazine

1-{[4-(methylsulfanyl)phenyl]methyl}piperazine

CAS: 55212-35-6

Formula: C12H18N2S

SMILES: CSC1=CC=C(CN2CCNCC2)C=C1

IUPAC: 1-{[4-(methylsulfanyl)phenyl]methyl}piperazine

InChI: InChI=1S/C12H18N2S/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3

Composition: C (64.82%), H (8.16%), N (12.60%), S (14.42%)

Molar Mass: 222.35

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 222.119069762
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QLOKJRIVRGCVIM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.12
Topological Polar Surface Area 15.27
Polarizability 26.78
Ring Count 2
Rotatable Bond Count 3

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