Basic information
- CAS
7520-94-7- Standard SMILES
CC(=O)c1sc(-c2ccccc2)nc1C- InChIKey
RXSKZUOBXJWMHY-UHFFFAOYSA-N- Molecular formula
- C12H11NOS
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.05613515
Names & identifiers
- Preferred name
- 1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
- IUPAC
- 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
- English name
- 1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
- Molecular formula
- C12H11NOS
- Molecular weight
- 217.29
Names & synonyms
7520-94-71-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-oneDTXSID30337235RefChem:225408DTXCID202883231-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethanoneMFCD018716131-(4-methyl-2-phenylthiazol-5-yl)ethanone1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone1-(4-methyl-2-phenyl-thiazol-5-yl)ethanone5-acetyl-4-methyl-2-phenyl-1,3-thiazole1-(4-Methyl-2-phenyl-5-thiazolyl)ethanone
Show more names
2-Phenyl-4-methyl-5-acetylthiazole
Maybridge1_007748Ethanone, 1-(4-methyl-2-phenyl-5-thiazolyl)-MLS000721283SCHEMBL851866CHEMBL1345194HMS563I04RXSKZUOBXJWMHY-UHFFFAOYSA-NHMS2672M12
Database identifiers
- CAS
7520-94-7- PubChem CID
- 540397
- DTXSID
DTXSID30337235- ChEMBL
CHEMBL1345194- EC Number
- 156-991-6
- Nikkaji
- J144.574J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
Solubility13.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934100090 · 2934100090
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, 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
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…