Rabeprazole-thioether
Properties
- Molecular formula
- C18H21N3O2S
- Molar mass
- 343.45 g/mol
- Exact mass
- 343.1354 Da
- Melting point
- 111–112 °C
- logP
- 3.97Crippen estimate
- Polar surface area
- 60.0 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 8
Hazards
Warning
- H315 Causes skin irritation92.9% of notifiers
- H319 Causes serious eye irritation92.9% of notifiers
- H335 May cause respiratory irritation92.9% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
117977-21-6SMILES
COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1CInChIKey
BSXAHDOWMOSVAP-UHFFFAOYSA-NInChI
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-
- 2-[[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-1H-benzimidazole
- H 295/43
- 2-[[[3-Methyl-4-(3-methoxypropoxy)-2-pyridyl]methyl]thio]-1H-benzimidazole
- 2-[((4-(3-Methoxypropoxy)-3-methylpyridine-2-yl)methyl)thio]-1H-benzimidazole
- 2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
- 2-[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole
Work with Rabeprazole-thioether
Similar compounds
Lansoprazole sulfide103577-40-868 % similar
Rabeprazole117976-89-367 % similar
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-553 % similar
4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-353 % similar
Rabeprazole sodium117976-90-650 % similar
2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride153259-31-550 % similar
2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride675198-19-350 % similar
Lansoprazole103577-45-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.