3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

HCID 357334
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
NC1CSc2ccccc2NC1=O
InChIKey
CVTKHBONQJBXKR-UHFFFAOYSA-N
Molecular formula
C9H10N2OS
Average molar mass
194.26 g/mol

Names & identifiers

Preferred name
3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
IUPAC
3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Names & synonyms

3-AMINO-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE96346-81-53-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-oneNSC615600SCHEMBL4495147CVTKHBONQJBXKR-UHFFFAOYSA-NAKOS006275833NSC-615600NCI60_005006A20261H546523-amino-2,3-dihydro-5H-1,5-benzothiazepin-4-one
Show more names
1,5-Benzothiazepin-4(5H)-one, 3-amino-2,3-dihydro-3-Amino-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one

Database identifiers

PubChem CID
357334
Nikkaji
J1.308.689C

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
80.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Related reactions

5 records
New reaction record

Compound notes

Loading…