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ML407

CAT: 0931-T33454-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33454-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
701940-94-5
Target
Others
Related Pathways
Others
Bioactivity
ML407 is a cryptococcus yeast cell apoptosis inducer.
Smiles
CC(C)C1=CC=C(C)C=C1OCCN1C(S)=NC2=C1C=CC=C2
Molecular Formula
C19H22N2OS
Molecular Weight
326.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
CAS Number701940-94-5
PubChem CID970188
IUPAC Name3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
Molecular FormulaC19H22N2OS
Molecular Weight326.5
XLogP4.5
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity414
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCN2C3=CC=CC=C3NC2=S
InChI
InChI=1S/C19H22N2OS/c1-13(2)15-9-8-14(3)12-18(15)22-11-10-21-17-7-5-4-6-16(17)20-19(21)23/h4-9,12-13H,10-11H2,1-3H3,(H,20,23)
InChIKey
FEHKMRKXIVBAPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
CAS: 701940-94-5
CID: 970188
Formula: C19H22N2OS
MW: 326.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass326.14528450
Monoisotopic Mass326.14528450
Topological Polar Surface Area56.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity414
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

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