N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
Basic information
- CAS
21487-27-4- Standard SMILES
Cc1ccccc1NC(=S)Nc1ccccn1- InChIKey
NWZAUKPEJKZNCA-UHFFFAOYSA-N- Molecular formula
- C13H13N3S
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.0830186
Names & identifiers
- Preferred name
- N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
- IUPAC
- 1-(2-methylphenyl)-3-pyridin-2-ylthiourea
- English name
- 3-(2-methylphenyl)-1-pyridin-2-yl-thiourea
- Molecular formula
- C13H13N3S
- Molecular weight
- 243.33
Names & synonyms
21487-27-4N-(2-Methylphenyl)-N'-(2-pyridinyl)thioureaUI2QGI8F4TNSC 143348NSC-143348DTXSID20175789N-O-TOLYL-N'-2-PYRIDYLTHIOUREAN-(2-PYRIDYL)-N'-O-TOLYLTHIOUREA1-(2-pyridyl)-3-(ortho-tolyl)-2-thioureaThiourea, N-(2-methylphenyl)-N'-2-pyridinyl-N-(2-METHYLPHENYL)-N'-2-PYRIDINYLTHIOUREAUREA, 1-(2-PYRIDYL)-2-THIO-3-O-TOLYL-
Show more names
1-(2-Pyridyl)-3-(o-tolyl)thiourea3-(2-methylphenyl)-1-pyridin-2-yl-thiourea
RefChem:825639DTXCID3098280653-677-51-(2-methylphenyl)-3-pyridin-2-ylthioureaUNII-UI2QGI8F4TNSC1433481-(Pyridin-2-yl)-3-(o-tolyl)thioureaMLS000766117
Database identifiers
- CAS
21487-27-4- PubChem CID
- 686648
- DTXSID
DTXSID20175789- ChEMBL
CHEMBL1402207- UNII
- UI2QGI8F4T
- EC Number
- 653-677-5
- Nikkaji
- J307.745D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- FDA UNII
- 2 QGI8F4T · UI2QGI8F4T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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