1-Methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine

HCID 133448CAS 80353-09-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CC=C(c2cccs2)CC1
InChIKey
DOJTZGGAMMSDRP-UHFFFAOYSA-N
Molecular formula
C10H13NS
Average molar mass
179.28 g/mol
Monoisotopic mass
179.07687059

Names & identifiers

Preferred name
1-Methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine
IUPAC
1-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
English name
1-methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine
Molecular formula
C10H13NS
Molecular weight
179.28

Names & synonyms

1-Methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridineMTTHP80353-09-9DTXSID90230258RefChem:76302DTXCID901527491-methyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine1,2,3,6-Tetrahydro-1-methyl-4-(2-thienyl)pyridineCHEMBL238181-methyl-4-(thiophen-2-yl)-1,2,3,6-tetrahydropyridineDOJTZGGAMMSDRP-UHFFFAOYSA-NPyridine, 1,2,3,6-tetrahydro-1-methyl-4-(2-thienyl)-

Database identifiers

CAS
80353-09-9
PubChem CID
133448
DTXSID
DTXSID90230258
ChEMBL
CHEMBL23818
Nikkaji
J358.511E

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
31.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
123 · 123-125 °C(Press: 3.5 Torr)
Density
1.103 · 1.103±0.06 g/cm3(Predicted)
pka
8.44 · 8.44±0.40(Predicted)

Related reactions

1 records
New reaction record

Linked notes

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