ethyl 3-methyl-5-(N'-methylbenzeneimidamido)thiophene-2-carboxylate
Basic information
- CAS
872102-24-4- Standard SMILES
CCOC(=O)c1sc(NC(=NC)c2ccccc2)cc1C- InChIKey
MKAYROOSQUHAFU-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10889899
Names & identifiers
- Preferred name
- ethyl 3-methyl-5-(N'-methylbenzeneimidamido)thiophene-2-carboxylate
- IUPAC
- ethyl 3-methyl-5-[(N-methyl-C-phenylcarbonimidoyl)amino]thiophene-2-carboxylate
Names & synonyms
ethyl 3-methyl-5-(N'-methylbenzeneimidamido)thiophene-2-carboxylate872102-24-4ethyl 3-methyl-5-[(N-methyl-C-phenylcarbonimidoyl)amino]thiophene-2-carboxylateAKOS033146181CS-0242031EN300-24350G45286Z118438408ethyl3-methyl-5-(N'-methylbenzeneimidamido)thiophene-2-carboxylate
Database identifiers
- CAS
872102-24-4- PubChem CID
- 8105872
- EC Number
- 129-958-9
- Nikkaji
- J3.337.302C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
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
Loading…