Products for Research Use Only
RegisterLogin

Albitiazolium

CAT: 0931-T25026-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T25026-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
753439-46-2
Target
Others
Related Pathways
Others
Bioactivity
Albitiazolium is an antimlarial agent.
Smiles
C(CCCCCCCCCCC[N+]=1C(C)=C(CCO)SC1)[N+]=2C(C)=C(CCO)SC2
Molecular Formula
C24H42N2O2S2
Molecular Weight
454.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Albitiazolium
CAS Number753439-46-2
PubChem CID11377023
IUPAC Name2-[3-[12-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]dodecyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Molecular FormulaC24H42N2O2S2+2
Molecular Weight454.7
XLogP6.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count30
Formal Charge2
Complexity392
SMILES
CC1=C(SC=[N+]1CCCCCCCCCCCC[N+]2=CSC(=C2C)CCO)CCO
InChI
InChI=1S/C24H42N2O2S2/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2/h19-20,27-28H,3-18H2,1-2H3/q+2
InChIKey
UZPXHZIQHWKNPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Albitiazolium
CAS: 753439-46-2
CID: 11377023
Formula: C24H42N2O2S2+2
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass454.26877093
Monoisotopic Mass454.26877093
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge2
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5774766Albitiazolium
MBS5779466Albitiazolium bromide

Popular Products