4,5,6,7-Tetrahydrothieno[3,2-c]pyridine

C7H9NSCAS 54903-50-3139.22 g/mol

Open in Covalent MOL file
SNH
Secondary amine

Properties

Molecular formula
C7H9NS
Molar mass
139.22 g/mol
Exact mass
139.0456 Da
logP
1.39Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
54903-50-3
SMILES
c1cc2c(s1)CCNC2
InChIKey
OGUWOLDNYOTRBO-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2

Weigh it out

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

Names and synonyms

5 names
  • Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-
  • PCR 0665
  • 6,7-Dihydro-4H-thieno[3,2-c]pyridine
  • 4,5,6,7-Tetrahydro-1H-thieno[3,2-c]pyridine
  • 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine

Work with 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride28783-41-7Salt

Similar compounds

Tetrahydroisoquinoline91-21-445 % similar 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-341 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-141 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-637 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline226942-29-637 % similar Benzylphenethylamine3647-71-035 % similar 3,4-Dithia-7H-cyclopenta[A]pentalene389-58-234 % similar 2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Methylthio)aniline104-96-1 3-(Methylthio)benzenamine1783-81-9 2-(Methylthio)aniline2987-53-3

Elsewhere

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