Basic information
- CAS
658069-74-0- Standard SMILES
O=C(NC(=S)Nc1ccc(Cl)cc1Cl)C1CC1- InChIKey
OTXOLUQWWJACCC-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N2OS
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 287.9890895
Names & identifiers
- Preferred name
- N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
- IUPAC
- N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
- English name
- N-{[(2,4-dichlorophenyl)amino]carbonothioyl}cyclopropanecarboxamide
- Molecular formula
- C11H10Cl2N2OS
- Molecular weight
- 289.18
Names & synonyms
N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide658069-74-0MLS001125458CHEMBL1414717DTXSID801333593HMS2982L07STK120974AKOS000495214SMR000665994AN-329/41822746Z57397386N-(cyclopropylcarbonyl)-N'-(2,4-dichlorophenyl)thiourea
Show more names
N-{[(2,4-dichlorophenyl)amino]carbonothioyl}cyclopropanecarboxamideCyclopropanecarboxamide, N-[[(2,4-dichlorophenyl)amino]thioxomethyl]-
Database identifiers
- CAS
658069-74-0- PubChem CID
- 833554
- DTXSID
DTXSID801333593- ChEMBL
CHEMBL1414717
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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