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2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide

2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide

CAS: 318949-45-0

Formula: C7H10BrF3N2S

SMILES: [Br-].FC(F)=C(F)CCSC1=NCC[NH2+]1

IUPAC: 2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide

InChI: InChI=1S/C7H9F3N2S.BrH/c8-5(6(9)10)1-4-13-7-11-2-3-12-7;/h1-4H2,(H,11,12);1H

Composition: C (28.88%), H (3.46%), Br (27.45%), F (19.58%), N (9.62%), S (11.01%)

Molar Mass: 291.13

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 289.970017
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GJSVECDXEBUPMV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.02
Topological Polar Surface Area 28.97
Polarizability 17.36
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 318949-45-0 $51.35-$86.31$51.35$63.37$86.31
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