Basic information
- CAS
6141-26-0- Standard SMILES
CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1- InChIKey
ZZSZZRNJRUNDTK-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.09872823
Names & identifiers
- Preferred name
- Butyl 4-(furan-2-carbonylcarbamothioylamino)benzoate
- IUPAC
- butyl 4-(furan-2-carbonylcarbamothioylamino)benzoate
- English name
- AcetaMide, N-(2-acetylphenyl)-2,2,2-trifluoro-
- Molecular formula
- C10H8F3NO2
- Molecular weight
- 231.17
Names & synonyms
butyl 4-(furan-2-carbonylcarbamothioylamino)benzoatebutyl 4-{[(2-furoylamino)carbonothioyl]amino}benzoate6141-26-0CBMicro_004353MLS001125803CHEMBL1374467SCHEMBL14096077DTXSID50976968HMS2997P23SMSF0015033STK325374AKOS001486935
Show more names
AcetaMide, N-(2-acetylphenyl)-2,2,2-trifluoro-
CB06243SMR000659525BIM-0004386.P001SR-01000457889SR-01000457889-1butyl 4-{[(furan-2-carbonyl)carbamothioyl]amino}benzoatebutyl 4-{[(furan-2-ylcarbonyl)carbamothioyl]amino}benzoateN-[{[4-(Butoxycarbonyl)phenyl]imino}(sulfanyl)methyl]furan-2-carboximidic acid
Database identifiers
- CAS
6141-26-0- PubChem CID
- 2269652
- DTXSID
DTXSID50976968- ChEMBL
CHEMBL1374467
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 313 · 313.0±42.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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