2-(Hydroxymethyl)-5-(methylsulfonyl)benzimidazole - CAS 1251272-51-1
Catalog: |
BB006078 |
Product Name: |
2-(Hydroxymethyl)-5-(methylsulfonyl)benzimidazole |
CAS: |
1251272-51-1 |
Synonyms: |
(6-methylsulfonyl-1H-benzimidazol-2-yl)methanol; (6-methylsulfonyl-1H-benzimidazol-2-yl)methanol |
IUPAC Name: | (6-methylsulfonyl-1H-benzimidazol-2-yl)methanol |
Description: | 2-(Hydroxymethyl)-5-(methylsulfonyl)benzimidazole (CAS# 1251272-51-1 ) is a useful research chemical. |
Molecular Weight: | 226.25 |
Molecular Formula: | C9H10N2O3S |
Canonical SMILES: | CS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CO |
InChI: | InChI=1S/C9H10N2O3S/c1-15(13,14)6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11) |
InChI Key: | ADXABKWOECHXDW-UHFFFAOYSA-N |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.04121336 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.04121336 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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