Basic information
- CAS
927994-99-8- Standard SMILES
NC(=S)COc1ccccc1-c1ccccc1- InChIKey
KUPRHYXSMNBRSE-UHFFFAOYSA-N- Molecular formula
- C14H13NOS
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.07178521
Names & identifiers
- Preferred name
- 2-(2-Phenylphenoxy)ethanethioamide
- IUPAC
- 2-(2-phenylphenoxy)ethanethioamide
- English name
- Ethanethioamide, 2-([1,1'-biphenyl]-2-yloxy)-
- Molecular formula
- C14H13NOS
- Molecular weight
- 243.32
Names & synonyms
2-(2-phenylphenoxy)ethanethioamide927994-99-8RefChem:454405101-912-2CMB99499AKOS000177413CS-0249093EN300-424672-{[1,1'-BIPHENYL]-2-YLOXY}ETHANETHIOAMIDEEthanethioamide, 2-([1,1'-biphenyl]-2-yloxy)-
Database identifiers
- CAS
927994-99-8- PubChem CID
- 7745482
- EC Number
- 101-912-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 394.8 · 394.8±44.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 12.54 · 12.54±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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