2-Methoxy-5-methylphenylthiourea
Basic information
- CAS
88686-29-7- Standard SMILES
COc1ccc(C)cc1NC(N)=S- InChIKey
IPKUQBKZOAIUOC-UHFFFAOYSA-N- Molecular formula
- C9H12N2OS
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.06703418
Names & identifiers
- Preferred name
- 2-Methoxy-5-methylphenylthiourea
- IUPAC
- (2-methoxy-5-methylphenyl)thiourea
- English name
- 2-Methoxy-5-methylphenylthiourea
- Molecular formula
- C9H12N2OS
- Molecular weight
- 196.27
Names & synonyms
88686-29-72-METHOXY-5-METHYLPHENYLTHIOUREADTXSID30352963RefChem:262637DTXCID70304027(2-methoxy-5-methylphenyl)thiourea1-(2-methoxy-5-methylphenyl)thiourea1-(2-methoxy-5-methylphenyl)-2-thioureaN-(2-Methoxy-5-methylphenyl)thioureaMFCD00041174amino[(2-methoxy-5-methylphenyl)amino]methane-1-thione2-Methoxy-5-methylphenylthiourea, 99%
Show more names
BUTTPARK 40\02-82Thiourea, N-(2-methoxy-5-methylphenyl)-N-(2-Methoxy-5-methylphenyl)thiourea, 99%
SCHEMBL1191054IPKUQBKZOAIUOC-UHFFFAOYSA-N(2-methoxy-5-methyl-phenyl)thioureaSBB062109AKOS001058166AS-65257FM169194UPCMLD0ENAT0516-9948:001
Database identifiers
- CAS
88686-29-7- PubChem CID
- 736212
- DTXSID
DTXSID30352963- EC Number
- 677-674-3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 127 · 127-130°C
- Boiling point
- 320.8 · 320.8±52.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.28 · 13.28±0.70(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- Insoluble in water.
- BRN
- 2722947 · 2722947
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 280 f-P301+P310-P330-P501a · P280f-P301+P310-P330-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- 2811
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H301
- Precautionary statements
- P280f-P301+P310-P330-P501a
Chemistry & industry
Applications
UsesN-(2-Methoxy-5-methylphenyl)thiourea is used as pharmaceutical intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…