Basic information
- CAS
4921-92-0- Standard SMILES
O=C(NC(=S)NC1CCCCC1)c1ccccc1- InChIKey
PSZJBKYIONLMPZ-UHFFFAOYSA-N- Molecular formula
- C14H18N2OS
- Average molar mass
- 262.37 g/mol
- Monoisotopic mass
- 262.1139842
Names & identifiers
- Preferred name
- Benzamide, N-[(cyclohexylamino)thioxomethyl]-
- IUPAC
- N-(cyclohexylcarbamothioyl)benzamide
Names & synonyms
4921-92-0Benzamide, N-[(cyclohexylamino)thioxomethyl]-DTXSID70884117Benzamide, N-((cyclohexylamino)thioxomethyl)-RefChem:561590DTXCID401023586812-984-6N-(cyclohexylcarbamothioyl)benzamide3-benzoyl-1-cyclohexylthioureaN-benzoyl-N'-cyclohexylthioureaCHEMBL1555726MLS001034907
Show more names
SCHEMBL16108484N-benzoyl N'-cyclohexyl thioureaBDBM50443480STK133453AKOS003422788SMR000665372CS-03680142N-014
Database identifiers
- CAS
4921-92-0- PubChem CID
- 895546
- DTXSID
DTXSID70884117- ChEMBL
CHEMBL1555726- EC Number
- 812-984-6
- Nikkaji
- J1.472.375G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
Solubility8.5 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N-[(cyclohexylamino)thioxomethyl]-: ACTIVE
Related reactions
2 records
Compound notes
Loading…