N-(9-Anthrylmethyl)-N'-benzoyl-N-methylthiourea
Basic information
- CAS
167781-43-3- Standard SMILES
CN(Cc1c2ccccc2cc2ccccc12)C(=S)NC(=O)c1ccccc1- InChIKey
XYAXWYSMSAAWKE-UHFFFAOYSA-N- Molecular formula
- C24H20N2OS
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.12963444
Names & identifiers
- Preferred name
- N-(9-Anthrylmethyl)-N'-benzoyl-N-methylthiourea
- IUPAC
- N-[anthracen-9-ylmethyl(methyl)carbamothioyl]benzamide
- English name
- N-(9-Anthrylmethyl)-N-benzoyl-N-methyl-t
- Molecular formula
- C24H20N2OS
- Molecular weight
- 384.49
Names & synonyms
167781-43-3N-(9-Anthrylmethyl)-N'-benzoyl-N-methylthioureaDTXSID90403728RefChem:362518DTXCID70354582634-941-9N-[anthracen-9-ylmethyl(methyl)carbamothioyl]benzamideSCHEMBL27686982N-{[(Anthracen-9-yl)methyl](methyl)carbamothioyl}benzamideN-(9-Anthrylmethyl)-N-benzoyl-N-methyl-tn-(9-anthrylmethyl)-n'-benzoyl-n-methylthioureapurumBenzamide, N-[[(9-anthracenylmethyl)methylamino]thioxomethyl]-
Database identifiers
- CAS
167781-43-3- PubChem CID
- 4499003
- DTXSID
DTXSID90403728- EC Number
- 634-941-9
- Nikkaji
- J659.430A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Melting point
- 175 · 175-180 °C
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 9.28 · 9.28±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 2 · 2
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (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 CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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