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2-Mercaptobenzimidazole-[4,5,6,7-d4]

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General Information
Catalog: BLP-010398
CAS: 931581-17-8
Molecular Formula: C7H2D4N2S
Molecular Weight: 154.23

Chemical Structure

Description	2-Mercaptobenzimidazole-[4,5,6,7-d4] is the labelled analogue of 2-Mercaptobenzimidazole, which is an intermediate in the synthesis of Rabeprazole and Lansoprazole.
Synonyms	2-Mercaptobenzimidazole-4,5,6,7-D4; 1,3-Dihydro-2H-benzimidazole-2-thione-4,5,6,7-d4; o-Phenylenethiourea-d4; Permanax 21-d4; Sandant MB-d4; Benzimidazolin-2-thione-d4; Antioxidant MB-d4; 2-Mercaptobenzimidazole-d4; 2-Mercapto-4,5,6,7-d4-benzimidazole; Rabeprazole EP Impurity F-d4; Lansoprazole EP Impurity E-d4
IUPAC Name	4,5,6,7-tetradeuterio-1,3-dihydrobenzimidazole-2-thione
Related CAS	583-39-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])NC(=S)N2)[2H])[2H]
Canonical SMILES	C1=CC=C2C(=C1)NC(=S)N2
InChI	InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)/i1D,2D,3D,4D
InChI Key	YHMYGUUIMTVXNW-RHQRLBAQSA-N
Melting Point	>246°C (dec.)
Purity	98%; ≥99% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C