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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:
37052-78-1
Molecular Weight:
180.23
EC Number:
253-326-2
MDL number:
MFCD00134581
UNSPSC Code:
12352100
PubChem Substance ID:
24863899
NACRES:
NA.22

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
GHS07

Signal Word

Warning

Hazard Statements

H302,H317,H412

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

382485-VAR:
382485-BULK:
382485-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG0494
BCCD3686
BCCB9493
BCBX1709
BCBT8115

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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)
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
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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