1-Furfuryl-3-phenyl-2-thiourea
Basic information
- CAS
6632-65-1- Standard SMILES
S=C(NCc1ccco1)Nc1ccccc1- InChIKey
RJZAQQXEFJDQTR-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.06703418
Names & identifiers
- Preferred name
- 1-Furfuryl-3-phenyl-2-thiourea
- IUPAC
- 1-(furan-2-ylmethyl)-3-phenylthiourea
- English name
- 1-Furfuryl-3-phenyl-2-thiourea
- Molecular formula
- C12H12N2OS
- Molecular weight
- 232.3
Names & synonyms
1-furfuryl-3-phenyl-2-thioureaRefChem:432896667-342-61-(furan-2-ylmethyl)-3-phenylthiourea6632-65-1CHEMBL15580863-[(furan-2-yl)methyl]-1-phenylthioureaNSC45943CBMicro_027665MLS000711875SCHEMBL5445694DTXSID40984911
Show more names
N-(furfuryl)-N'-phenyl thioureaHMS1675A14HMS2629H05BDBM50448188MFCD00020959NSC-45943STK792983AKOS000627792
Database identifiers
- CAS
6632-65-1- PubChem CID
- 689750
- DTXSID
DTXSID40984911- ChEMBL
CHEMBL1558086- EC Number
- 667-342-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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)
Aggregated GHS information provided per 38 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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