4-Iodo-N-(2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ethyl)benzamide
Basic information
- CAS
303061-94-1- Standard SMILES
O=C(NC(SC1=NCCS1)C(Cl)(Cl)Cl)c1ccc(I)cc1- InChIKey
PKIQVSODHWESFA-UHFFFAOYSA-N- Molecular formula
- C12H10Cl3IN2OS2
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 493.83449
Names & identifiers
- Preferred name
- 4-Iodo-N-(2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ethyl)benzamide
- IUPAC
- 4-iodo-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
- English name
- 4-iodo-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
- Molecular formula
- C12H10Cl3IN2OS2
- Molecular weight
- 495.61407
Names & synonyms
303061-94-14-IODO-N-(2,2,2-TRICHLORO-1-(4,5-DIHYDRO-1,3-THIAZOL-2-YLTHIO)ETHYL)BENZAMIDE4-iodo-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ethyl]benzamideRefChem:524225661-867-4CBMicro_046999AKOS0026866034-iodo-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamideBIM-0046877.P001
Database identifiers
- CAS
303061-94-1- PubChem CID
- 2887355
- EC Number
- 661-867-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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