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1,4,7,10-tetrakis[2-(methylsulfanyl)ethyl]-1,4,7,10-tetraazacyclododecane

1,4,7,10-tetrakis[2-(methylsulfanyl)ethyl]-1,4,7,10-tetraazacyclododecane

Formula: C20H44N4S4

SMILES: CSCCN1CCN(CCSC)CCN(CCSC)CCN(CCSC)CC1

IUPAC: 1,4,7,10-tetrakis[2-(methylsulfanyl)ethyl]-1,4,7,10-tetraazacyclododecane

InChI: InChI=1S/C20H44N4S4/c1-25-17-13-21-5-7-22(14-18-26-2)9-11-24(16-20-28-4)12-10-23(8-6-21)15-19-27-3/h5-20H2,1-4H3

Composition: C (51.24%), H (9.46%), N (11.95%), S (27.35%)

Molar Mass: 468.84

Atom Count: 72

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 468.244882129
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey USTNPYCWWYZFST-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 140.58
Topological Polar Surface Area 12.96
Polarizability 55.21
Ring Count 1
Rotatable Bond Count 12

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