Basic information
- CAS
201215-93-2- Standard SMILES
S=C(NCc1cccnc1)Nc1ccccc1- InChIKey
QFHALJZCNJGTFQ-UHFFFAOYSA-N- Molecular formula
- C13H13N3S
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.0830186
Names & identifiers
- Preferred name
- 1-Phenyl-3-(pyridin-3-ylmethyl)thiourea
- IUPAC
- 1-phenyl-3-(pyridin-3-ylmethyl)thiourea
- English name
- 1-phenyl-3-(pyridin-3-ylMethyl)thiourea
- Molecular formula
- C13H13N3S
- Molecular weight
- 243.33
Names & synonyms
1-phenyl-3-(pyridin-3-ylmethyl)thiourea201215-93-2DTXSID80355520RefChem:233146DTXCID103065801-Phenyl-3-[(pyridin-3-yl)methyl]thiourea1-BENZYL-3-((PYRIDIN-3-YL)METHYL)THIOUREA1-Phenyl-3-((pyridin-3-yl)methyl)thioureaCHEMBL2391569Thiourea, N-phenyl-N'-(3-pyridinylmethyl)-MFCD00088576SCHEMBL16566454
Show more names
1-PHENYL-3-(3-PYRIDYLMETHYL)-2-THIOUREA
HMS1786P05N-Phenyl-N'-(3-pyridinyl)thioureaBDBM50435355EBC-14513STK1127471-phenyl-3-(3-pyridylmethyl)thioureaAKOS000581061AS-40875
Database identifiers
- CAS
201215-93-2- PubChem CID
- 804302
- DTXSID
DTXSID80355520- ChEMBL
CHEMBL2391569- EC Number
- 105-581-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 151 · 151-152 °C
- Boiling point
- 403.6 · 403.6±47.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.42 · 12.42±0.70(Predicted)
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, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Chemistry & industry
Suppliers4 total
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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