5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1)

C7H10ClNOSCAS 115473-15-9191.67 g/mol

Open in Covalent MOL file
HClONHS
AlkeneSecondary amineSulfide

Properties

Molecular formula
C7H10ClNOS
Molar mass
191.67 g/mol
Exact mass
191.0172 Da
logP
0.97Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
115473-15-9
SMILES
Cl.O=C1C=C2CNCCC2S1
InChIKey
PUQKTVAKLPDUAW-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NOS.ClH/c9-7-3-5-4-8-2-1-6(5)10-7;/h3,6,8H,1-2,4H2;1H

Weigh it out

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

Names and synonyms

3 names
  • Thieno[3,2-c]pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-, hydrochloride (1:1)
  • Thieno[3,2-c]pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-, hydrochloride
  • 2H,4H,5H,6H,7H,7aH-Thieno[3,2-c]pyridin-2-one hydrochloride

Work with 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1)

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

5-Trityl-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one109904-26-935 % similar Isonipecotic acid hydrochloride5984-56-533 % similar Pyrrolidin-3-one hydrochloride3760-52-932 % similar Piperidin-3-one hydrochloride61644-00-631 % similar Methyl isonipecotate hydrochloride7462-86-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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