Basic information
- CAS
52187-32-3- Standard SMILES
COc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1OC- InChIKey
HBOMOQRMLGFXNB-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11946368
Names & identifiers
- Preferred name
- 1-Benzoyl-3-(3,4-dimethoxyphenethyl)-2-thiourea
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide
- English name
- 1-Benzoyl-3-(3,4-dimethoxyphenethyl)-2-thiourea
- Molecular formula
- C18H20N2O3S
- Molecular weight
- 344.43
Names & synonyms
1-benzoyl-3-(3,4-dimethoxyphenethyl)-2-thioureaRefChem:429662653-823-852187-32-3n-benzoyl-n'-(3,4-dimethoxyphenethyl)thioureaN-((3,4-Dimethoxyphenethyl)carbamothioyl)benzamideN-{[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}benzamideNSC165004N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamideCBMicro_005714Oprea1_866079MLS000577630
Show more names
Benzamide, N-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]thioxomethyl]-
SCHEMBL5443646CHEMBL1531019DTXSID20351748HMS2453E16SMSF0005704STK396704AKOS002238485CB08192
Database identifiers
- CAS
52187-32-3- PubChem CID
- 708448
- DTXSID
DTXSID20351748- ChEMBL
CHEMBL1531019- EC Number
- 653-823-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…