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2- (Methylthio) benzimidazole

CAT: 0013-GTR19251245-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251245-01Size:200 mg
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Description
2- (Methylthio) benzimidazole
CAS Number
7152-24-1
Purity
98.90% (May vary between batches)
Smiles
CSc1nc2ccccc2[nH]1
Molecular Formula
C8H8N2S
Molecular Weight
164.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Methylthio)benzimidazole
CAS Number7152-24-1
PubChem CID23539
IUPAC Name2-methylsulfanyl-1H-benzimidazole
Molecular FormulaC8H8N2S
Molecular Weight164.23
XLogP2.1
Topological Polar Surface Area54
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
CSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChIKey
OCKJFOHZLXIAAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylthio)benzimidazole
CAS: 7152-24-1
CID: 23539
Formula: C8H8N2S
MW: 164.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.04081944
Monoisotopic Mass164.04081944
Topological Polar Surface Area54 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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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