4H-3-thia-4,9-diaza-benzo[f]azulen-10-ylamine

HCID 136388583
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
NC1=Nc2ccccc2Nc2sccc21
InChIKey
GEMTZULBMQUSBX-UHFFFAOYSA-N
Molecular formula
C11H9N3S
Average molar mass
215.28 g/mol
Monoisotopic mass
215.05171847

Names & identifiers

Preferred name
4H-3-thia-4,9-diaza-benzo[f]azulen-10-ylamine
IUPAC
10H-thieno[2,3-b][1,5]benzodiazepin-4-amine

Names & synonyms

SCHEMBL4836296GEMTZULBMQUSBX-UHFFFAOYSA-N4H-3-thia-4,9-diaza-benzo[f]azulen-10-ylamine

Database identifiers

PubChem CID
136388583

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
78.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15

Related reactions

4 records
New reaction record

Compound notes

Loading…