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About This Item
Empirical Formula (Hill Notation):
C8H8N2OS
CAS Number:
Molecular Weight:
180.23
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
form
powder
mp
261-263 °C (lit.)
SMILES string
COc1ccc2[nH]c(S)nc2c1
InChI
1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
InChI key
KOFBRZWVWJCLGM-UHFFFAOYSA-N
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General description
5-Methoxy-2-benzimidazolethiol is a hetercocyclic building block. Iodimetric quantification of 5-methoxy-2-benzimidazolethiol in basic medium has been investigated.
Application
5-Methoxy-2-benzimidazolethiol may be used in the preparation of compounds present as contaminants in omeprazole, such as 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole and 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl-1-oxide)methyl]sulfonyl]-1H-benzimidazole. It may be used in the synthesis of tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ2P:P′;1:3κ2P:P′;2:3κ2P:P′-di-μ-bromido-1:2κ4Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Skin Sens. 1
Storage Class Code
11 - Combustible Solids
WGK
WGK 2
Flash Point(F)
286.9 °F - closed cup
Flash Point(C)
141.6 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Wen-Juan Shi
Acta crystallographica. Section E, Structure reports online, 64(Pt 11), m1411-m1411 (2008-01-01)
In the crystal structure of the title compound, [Cu(3)Br(3)(C(26)H(24)P(2))(3)]·0.5CH(3)COCH(3), two of the Cu centers are bridged by two bromide anions forming a Cu(μ-Br)(2)Cu core, which is further bridged by a 1,2-bis-(diphenyl-phosphino)-ethane (dppe) ligand. The third Cu center is terminally bound
Preparation of Two Impurities of Omeprazole.
Hao L-H, et al.
Chinese Journal of Pharmaceuticals / Chung-kuo i yao kung yeh tsa chih, 2, 008-008 (2009)
Iodimetric determination of 2-benzimidazolethiols and 2-benzothiazoletiols.
Ciesielski W and Krenc A.
Chem. Anal. (Warsaw), 49(4), 577-577 (2004)
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