1,3-Dihydro-5-methoxy-2H-imidazo[4,5-b]pyridine-2-thione

C7H7N3OSCAS 113713-60-3181.21 g/mol

Open in Covalent MOL file
ONSHNHN
EtherThiol

Properties

Molecular formula
C7H7N3OS
Molar mass
181.21 g/mol
Exact mass
181.0310 Da
logP
1.26Crippen estimate
Polar surface area
50.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
113713-60-3
SMILES
COc1ccc2nc(S)[nH]c2n1
InChIKey
PNYFSMIUARCIRR-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3OS/c1-11-5-3-2-4-6(9-5)10-7(12)8-4/h2-3H,1H3,(H2,8,9,10,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2H-Imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro-5-methoxy-
  • 2-Mercapto-5-methoxyimidazo[4,5-b]pyridine
  • 2-Mercapto-5-methoxy-3H-imidazolo[4,5-b]pyridine
  • 5-Methoxy-3H-imidazo[4,5-b]pyridine-2-thiol
  • 5-Methoxyimidazo[4,5-b]pyridine-2-thiol
  • 2H-Imidazo(4,5-b)pyridine-2-thione, 1,3-dihydro-5-methoxy-

Work with 1,3-Dihydro-5-methoxy-2H-imidazo[4,5-b]pyridine-2-thione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Mercapto-5-methoxybenzimidazole37052-78-151 % similar 6-Methoxy-1H-pyrrolo[2,3-b]pyridine896722-53-545 % similar 2-Mercapto-5-methylbenzimidazole27231-36-340 % similar 2,6-Dimethoxypyridine6231-18-139 % similar Tenatoprazole113712-98-439 % similar Mercaptobenzimidazole583-39-138 % similar 5-Ethoxy-2-mercaptobenzimidazole55489-15-138 % similar 2,3-Diamino-6-methoxypyridine28020-38-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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