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382485

Sigma-Aldrich

5-Methoxy-2-benzimidazolethiol

99%

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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

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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