N-(4-Methoxyphenyl)-N'-phenylthiourea
Basic information
- CAS
1219-96-1- Standard SMILES
COc1ccc(NC(=S)Nc2ccccc2)cc1- InChIKey
JMKRMQGOPWYOGL-UHFFFAOYSA-N- Molecular formula
- C14H14N2OS
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.08268425
Names & identifiers
- Preferred name
- N-(4-Methoxyphenyl)-N'-phenylthiourea
- IUPAC
- 1-(4-methoxyphenyl)-3-phenylthiourea
- English name
- Thiourea,N-(4-methoxyphenyl)-N'-phenyl-
- Molecular formula
- C14H14N2OS
- Molecular weight
- 258.34
Names & synonyms
1219-96-1N-(4-Methoxyphenyl)-N'-phenylthiourea1-(4-methoxyphenyl)-3-phenylthioureaNSC1914113-(4-METHOXYPHENYL)-1-PHENYLTHIOUREAMLS000756424CHEMBL1599555NSC-191411[(4-methoxyphenyl)amino](phenylamino)methane-1-thione1-(p-Methoxyphenyl)-3-phenyl-2-thioureaTimTec1_001692Oprea1_765799
Show more names
Thiourea,N-(4-methoxyphenyl)-N'-phenyl-
CBDivE_001987MLS001183522SCHEMBL1259295DTXSID90350708JMKRMQGOPWYOGL-UHFFFAOYSA-NHMS1538M20HMS2835K11HMS2886J19
Database identifiers
- CAS
1219-96-1- PubChem CID
- 686507
- DTXSID
DTXSID90350708- ChEMBL
CHEMBL1599555- EC Number
- 153-432-8
- Nikkaji
- J1.263.969D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Solubility>38.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H318-H335-H410
- Precautionary statements
- 261 · P261-P273-P281-P301+P312-P302+P352-P304+P340-P305+P351+P338
- RIDADR
- 3077 · UN3077
- HazardClass
- 9 · 9
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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
- ridadr
- UN3077
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_class
- 9
- Hazard statements
- H302-H315-H318-H335-H410
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P273-P281-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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