3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Basic information
- CAS
399043-35-7- Standard SMILES
Nc1sc2c(c1C(=O)c1cccc(F)c1)CCCC2- InChIKey
AVINEQRMMABGCF-UHFFFAOYSA-N- Molecular formula
- C15H14FNOS
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.07801341
Names & identifiers
- Preferred name
- 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
- IUPAC
- (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanone
Names & synonyms
399043-35-73-(3-fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amineRefChem:492007960-650-4(2-amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(3-fluorophenyl)methanoneMFCD06363450Methanone,(2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(3-fluorophenyl)-CHEMBL127986(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanoneAKOS005198961CCG-306131WAY-388641
Show more names
CS-0222809EN300-11274G57933SR-01000059895SR-01000059895-1Z57041959(2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-fluorophenyl)methanone
Database identifiers
- CAS
399043-35-7- PubChem CID
- 2554433
- ChEMBL
CHEMBL127986- EC Number
- 960-650-4
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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