1,3-Bis(2-fluorophenyl)-2-thiourea
Basic information
- CAS
368-05-8- Standard SMILES
Fc1ccccc1NC(=S)Nc1ccccc1F- InChIKey
ZBMLHTDWAFZBDE-UHFFFAOYSA-N- Molecular formula
- C13H10F2N2S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.05327583
Names & identifiers
- Preferred name
- 1,3-Bis(2-fluorophenyl)-2-thiourea
- IUPAC
- 1,3-bis(2-fluorophenyl)thiourea
- English name
- 1,3-bis(2-fluorophenyl)thiourea
- Molecular formula
- C13H10F2N2S
- Molecular weight
- 264.2937064
Names & synonyms
1,3-bis(2-fluorophenyl)-2-thioureaRefChem:413952665-058-71,3-bis(2-fluorophenyl)thiourea368-05-8N,N'-bis(2-fluorophenyl)thioureaNSC51804Maybridge1_007666MLS001182375SCHEMBL5449341CHEMBL1316297SCHEMBL29838503
Show more names
HMS563E10DTXSID00958012HMS2881N20NSC-51804SEW 04256AKOS000669673SMR000568044bis[(2-fluorophenyl)amino]methane-1-thione
Database identifiers
- CAS
368-05-8- PubChem CID
- 714569
- DTXSID
DTXSID00958012- ChEMBL
CHEMBL1316297- EC Number
- 665-058-7
- Nikkaji
- J658.418G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Solubility>39.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H410-H302-H335
- Precautionary statements
- 273 · P273-P391-P501-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, 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)
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,GHS09
- Hazard statements
- H315-H318-H410-H302-H335
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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