Basic information
- CAS
773153-51-8- Standard SMILES
O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccco1- InChIKey
YRAAFUYLFOKEGT-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4S
- Average molar mass
- 304.32 g/mol
- Monoisotopic mass
- 304.05177804
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
Names & synonyms
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide773153-51-8N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamothioyl)furan-2-carboxamideMLS000767868CHEMBL1533535DTXSID001329560HMS2804C21STK918851AKOS002259064SMR000430197ST502029971-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(furan-2-carbonyl)-thiourea
Show more names
N-[(2,3-Dihydro-1,4-benzodioxin-6-yl)carbamothioyl]furan-2-carboxamideN-[(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylamino)thioxomethyl]-2-furylcarboxamide
Database identifiers
- CAS
773153-51-8- PubChem CID
- 734541
- DTXSID
DTXSID001329560- ChEMBL
CHEMBL1533535
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
Solubility40.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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