1-Cyclohexyl-1-methyl-3-phenyl-2-thiourea
Basic information
- CAS
52793-69-8- Standard SMILES
CN(C(=S)Nc1ccccc1)C1CCCCC1- InChIKey
CAVLDGJVMTVLQJ-UHFFFAOYSA-N- Molecular formula
- C14H20N2S
- Average molar mass
- 248.39 g/mol
- Monoisotopic mass
- 248.13471982
Names & identifiers
- Preferred name
- 1-Cyclohexyl-1-methyl-3-phenyl-2-thiourea
- IUPAC
- 1-cyclohexyl-1-methyl-3-phenylthiourea
- English name
- 1-Cyclohexyl-1-methyl-3-phenyl-2-thiourea
- Molecular formula
- C14H20N2S
- Molecular weight
- 248.39
Names & synonyms
1-cyclohexyl-1-methyl-3-phenyl-2-thioureaRefChem:431645667-137-11-cyclohexyl-1-methyl-3-phenylthiourea52793-69-8Thiourea, N-cyclohexyl-N-methyl-N'-phenyl-N-cyclohexyl-N-methyl-N'-phenylthioureaAN-329/42612924SCHEMBL5463743DTXSID50357495STL070771AKOS000498151
Show more names
ST45045279(cyclohexylmethylamino)(phenylamino)methane-1-thione
Database identifiers
- CAS
52793-69-8- PubChem CID
- 853771
- DTXSID
DTXSID50357495- EC Number
- 667-137-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 350.4 · 350.4±25.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 13.47 · 13.47±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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