Basic information
- CAS
304018-04-0- Standard SMILES
Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2- InChIKey
ZXCMGFVABPBNBQ-UHFFFAOYSA-N- Molecular formula
- C14H12ClNOS
- Average molar mass
- 277.8 g/mol
- Monoisotopic mass
- 277.0328129
Names & identifiers
- Preferred name
- 3-(4-chlorobenzoyl)-4H,5H,6H-cyclopenta(b)thiophen-2-amine
- IUPAC
- (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
- English name
- (2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chloro-phenyl)-methanone
- Molecular formula
- C14H12ClNOS
- Molecular weight
- 277.77
Names & synonyms
3-(4-chlorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine3-(4-chlorobenzoyl)-4H,5H,6H-cyclopenta(b)thiophen-2-amineRefChem:492831959-977-5304018-04-0(2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)(4-chlorophenyl)methanone(2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chloro-phenyl)-methanone(2-amino-5,6-dihydro-4H-cyclopenta[b]thien-3-yl)(4-chlorophenyl)methanone(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanoneMethanone, (2-amino-5,6-dihydro-4H-cyclopenta[b]thien-3-yl)(4-chlorophenyl)-2-amino(4,5,6-trihydrocyclopenta[1,2-b]thiophen-3-yl) 4-chlorophenyl ketoneOprea1_599984
Show more names
Oprea1_822871CHEMBL57179SCHEMBL138601DTXSID50357677SBB085338AKOS000300730CCG-306263WAY-388799
Database identifiers
- CAS
304018-04-0- PubChem CID
- 859628
- DTXSID
DTXSID50357677- ChEMBL
CHEMBL57179- EC Number
- 959-977-5
- Nikkaji
- J1.385.103D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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