2-(6-Methoxypyridin-2-yl)ethyl 4-methylbenzenesulfonate

HCID 59636776
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1259929-74-2
Standard SMILES
COc1cccc(CCOS(=O)(=O)c2ccc(C)cc2)n1
InChIKey
OCVYDGHIXJQSSR-UHFFFAOYSA-N
Molecular formula
C15H17NO4S
Average molar mass
307.4 g/mol
Monoisotopic mass
307.0878292

Names & identifiers

Preferred name
2-(6-Methoxypyridin-2-yl)ethyl 4-methylbenzenesulfonate
IUPAC
2-(6-methoxy-2-pyridinyl)ethyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL9311732-(6-methoxypyridin-2-yl)ethyl 4-methylbenzenesulfonateOCVYDGHIXJQSSR-UHFFFAOYSA-NDTXSID8011887761259929-74-22-(6-Methoxypyridin-2-yl)ethyl 4-methylbenzene-1-sulfonate2-Pyridineethanol, 6-methoxy-, 2-(4-methylbenzenesulfonate)

Database identifiers

CAS
1259929-74-2
PubChem CID
59636776
DTXSID
DTXSID801188776

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
73.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
21

Related reactions

6 records
New reaction record

Compound notes

Loading…