Text Search
Structure Search

1-(2,4-dimethanesulfonylphenyl)piperazine

1-(2,4-dimethanesulfonylphenyl)piperazine

CAS: 1000018-17-6

Formula: C12H18N2O4S2

SMILES: CS(=O)(=O)C1=CC(=C(C=C1)N1CCNCC1)S(C)(=O)=O

IUPAC: 1-(2,4-dimethanesulfonylphenyl)piperazine

InChI: InChI=1S/C12H18N2O4S2/c1-19(15,16)10-3-4-11(12(9-10)20(2,17)18)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

Composition: C (45.27%), H (5.70%), N (8.80%), O (20.10%), S (20.14%)

Molar Mass: 318.41

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 318.070799416
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey RQHNMARLZQGRBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.25
Topological Polar Surface Area 83.55
Polarizability 31.65
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1000018-17-6 $289.83$289.83
Request Quote