Ethanone, 1-(2-thianthrenyl)-

HCID 515175
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
14812-64-7
Standard SMILES
CC(=O)c1ccc2c(c1)Sc1ccccc1S2
InChIKey
XLKTXBRNWCHYAS-UHFFFAOYSA-N
Molecular formula
C14H10OS2
Average molar mass
258.4 g/mol
Monoisotopic mass
258.01730694

Names & identifiers

Preferred name
Ethanone, 1-(2-thianthrenyl)-
IUPAC
1-thianthren-2-ylethanone

Names & synonyms

Ethanone, 1-(2-thianthrenyl)-14812-64-7DTXSID30333651RefChem:341117DTXCID402847412-acetylthianthrene1-thianthren-2-ylethanoneSCHEMBL2129616XLKTXBRNWCHYAS-UHFFFAOYSA-N1-(THIANTHREN-2-YL)ETHAN-1-ONE

Database identifiers

CAS
14812-64-7
PubChem CID
515175
DTXSID
DTXSID30333651

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
67.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

Loading…