Basic information
- CAS
10045-50-8- Standard SMILES
CC(=O)c1cnc(-c2ccccc2)s1- InChIKey
QAJAPTFQPWENFK-UHFFFAOYSA-N- Molecular formula
- C11H9NOS
- Average molar mass
- 203.26 g/mol
- Monoisotopic mass
- 203.04048491
Names & identifiers
- Preferred name
- 1-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one
- IUPAC
- 1-(2-phenyl-1,3-thiazol-5-yl)ethanone
- English name
- 1-(2-PHENYL-1,3-THIAZOL-5-YL)-1-ETHANONE
- Molecular formula
- C11H9NOS
- Molecular weight
- 203.26
Names & synonyms
10045-50-81-(2-phenyl-1,3-thiazol-5-yl)ethan-1-oneDTXSID90346040RefChem:223847DTXCID802971131-(2-phenyl-1,3-thiazol-5-yl)-1-ethanone1-(2-Phenylthiazol-5-yl)ethanone1-(2-Phenyl-1,3-thiazol-5-yl)ethanone5-Acetyl-2-phenyl-1,3-thiazoleMFCD00244691Ethanone, 1-(2-phenyl-5-thiazolyl)-MLS000763780
Show more names
SMR0003341341-(2-Phenyl-thiazol-5-yl)-ethanoneEthanone,1-(2-phenyl-5-thiazolyl)-1-(2-phenyl-5-thiazolyl)ethanoneSCHEMBL850828cid_608996CHEMBL1309968BDBM59503
Database identifiers
- CAS
10045-50-8- PubChem CID
- 608996
- DTXSID
DTXSID90346040- ChEMBL
CHEMBL1309968- Nikkaji
- J144.573A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 151 · 151-153°
- Boiling point
- 353.5 · 353.5±34.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 0.36 · 0.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety data
- hs_code
- 2934100090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
6 records
Compound notes
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