Methyl 3-acetyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate

HCID 71014115
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1sc(C(C)=O)c2c1CCCC2
InChIKey
ZGUSGQVZOBDUTE-UHFFFAOYSA-N
Molecular formula
C12H14O3S
Average molar mass
238.3 g/mol

Names & identifiers

Preferred name
Methyl 3-acetyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
IUPAC
methyl 3-acetyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate

Names & synonyms

methyl 3-acetyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate1414377-88-0SCHEMBL13857946ZGUSGQVZOBDUTE-UHFFFAOYSA-NDB-386267

Database identifiers

PubChem CID
71014115

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16

Related reactions

3 records
New reaction record

Compound notes

Loading…