1-Furan-2-ylmethyl-3-(2-methyl-benzoyl)-thiourea
Basic information
- CAS
431923-07-8- Standard SMILES
Cc1ccccc1C(=O)NC(=S)NCc1ccco1- InChIKey
ZTTJSQVQVIRUQD-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.07759887
Names & identifiers
- Preferred name
- 1-Furan-2-ylmethyl-3-(2-methyl-benzoyl)-thiourea
- IUPAC
- N-(furan-2-ylmethylcarbamothioyl)-2-methylbenzamide
Names & synonyms
1-Furan-2-ylmethyl-3-(2-methyl-benzoyl)-thiourea431923-07-8Oprea1_440338SCHEMBL5458075STK863514AKOS000535231ST50193276AB00116315-01N-[(furan-2-ylmethyl)carbamothioyl]-2-methylbenzamideZ57713511N-{[(2-furylmethyl)amino]thioxomethyl}(2-methylphenyl)carboxamide
Database identifiers
- CAS
431923-07-8- PubChem CID
- 694359
- EC Number
- 158-508-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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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