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5-Ethoxy-2-mercaptobenzimidazole

CAT: 0013-GTR19254463-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254463-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Ethoxy-2-mercaptobenzimidazole , with CAS No. 55489-15-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 5-Ethoxy-2-mercaptobenzimidazole provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
55489-15-1
Product Name Alternative
Compound 55489 15 1, Compound 55489151
Purity
>99.99% (May vary between batches)
Smiles
CCOc1ccc2[nH]c (S) nc2c1
Molecular Formula
C9H10N2OS
Molecular Weight
194.25
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

5-Ethoxy-2-mercaptobenzimidazole
CAS Number55489-15-1
PubChem CID790793
IUPAC Name5-ethoxy-1,3-dihydrobenzimidazole-2-thione
Molecular FormulaC9H10N2OS
Molecular Weight194.26
XLogP1.5
Topological Polar Surface Area65.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity210
SMILES
CCOC1=CC2=C(C=C1)NC(=S)N2
InChI
InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
InChIKey
WUSCBOFBIYZVCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethoxy-2-mercaptobenzimidazole
CAS: 55489-15-1
CID: 790793
Formula: C9H10N2OS
MW: 194.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.26
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass194.05138412
Monoisotopic Mass194.05138412
Topological Polar Surface Area65.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity210
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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