Basic information
- CAS
64830-89-3- Standard SMILES
COc1ccc(NC(=[NH+]c2ccc(OC)cc2)SC)cc1.[I-]- InChIKey
FJVFLBJAUVPZCM-UHFFFAOYSA-N- Molecular formula
- C16H19IN2O2S
- Average molar mass
- 430.3 g/mol
- Monoisotopic mass
- 430.0212
Names & identifiers
- Preferred name
- N,N'-bis(4-methoxyphenyl)(methylsulfanyl)methanimidamide hydroiodide
- IUPAC
- [(4-methoxyanilino)-methylsulfanylmethylidene]-(4-methoxyphenyl)azanium iodide
Names & synonyms
64830-89-3RefChem:821808996-402-7N,N'-bis(4-methoxyphenyl)(methylsulfanyl)methanimidamide hydroiodide4-Methoxy-N-{[(4-methoxyphenyl)amino](methylsulfanyl)methylidene}anilinium iodide1491833-99-8AKOS001116901EN300-18439[(4-methoxyanilino)-methylsulfanylmethylidene]-(4-methoxyphenyl)azanium;iodide4-Methoxy-N-{[(4-methoxyphenyl)amino](methylsulfanyl)methylidene}aniliniumiodide
Database identifiers
- CAS
64830-89-3- PubChem CID
- 16248342
- EC Number
- 996-402-7
Properties
Computed structural properties
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 292
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, P273, 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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