HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-Ethyl-3-acetyl-benzo[b]thiophene

HCID 21455088
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1sc2ccccc2c1C(C)=O
InChIKey
CMPLHZPYZGJIMD-UHFFFAOYSA-N
Molecular formula
C12H12OS
Average molar mass
204.29 g/mol

Names & identifiers

Preferred name
2-Ethyl-3-acetyl-benzo[b]thiophene
IUPAC
1-(2-ethyl-1-benzothiophen-3-yl)ethanone

Names & synonyms

CMPLHZPYZGJIMD-UHFFFAOYSA-N2-ethyl-3-acetyl-benzo[b]thiophene

Database identifiers

PubChem CID
21455088

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
226

Related reactions

3 records
New reaction record
HRID 141596 reaction equation
HRID 141596As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 436005 reaction equation
HRID 436005As productuspto-grants-1977_02
HRID 436006 reaction equation
HRID 436006As reactantuspto-grants-1977_02

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes