(5-Methoxy-2-methylphenyl)thiourea
Basic information
- CAS
1022320-88-2- Standard SMILES
COc1ccc(C)c(NC(N)=S)c1- InChIKey
BQMXLLVSWQWRLZ-UHFFFAOYSA-N- Molecular formula
- C9H12N2OS
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.06703418
Names & identifiers
- Preferred name
- (5-Methoxy-2-methylphenyl)thiourea
- IUPAC
- (5-methoxy-2-methylphenyl)thiourea
- English name
- (5-methoxy-2-methyl-phenyl)thiourea
- Molecular formula
- C9H12N2OS
- Molecular weight
- 196.27
Names & synonyms
(5-methoxy-2-methylphenyl)thiourea1022320-88-2RefChem:404066860-110-7(5-Methoxy-2-methyl-phenyl)-thiourea1-(5-methoxy-2-methylphenyl)thiourea(5-methoxy-2-methyl-phenyl)thioureaSCHEMBL8295760SCHEMBL30189872BQMXLLVSWQWRLZ-UHFFFAOYSA-NNJB78090AKOS006343548
Show more names
N-(5-Methoxy-2-methylphenyl)thioureaThiourea, N-(5-methoxy-2-methylphenyl)-
CS-0241477G48838EN300-23320545
Database identifiers
- CAS
1022320-88-2- PubChem CID
- 3607236
- EC Number
- 860-110-7
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- Boiling point
- 315.1 · 315.1±52.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 12.81 · 12.81±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 501 · P501-P270-P264-P301+P310+P330-P405
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Related reactions
1 records
Compound notes
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