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Basic information
- CAS
33049-88-6- Standard SMILES
C=CCC1(O)c2ccccc2Sc2ccc(Cl)cc21- InChIKey
TVKIVQFMOWEWHQ-UHFFFAOYSA-N- Molecular formula
- C16H13ClOS
- Average molar mass
- 288.799 g/mol
- Monoisotopic mass
- 288.03756372
Names & identifiers
- Preferred name
- 2-Chloro-9-(prop-2-en-1-yl)-9H-thioxanthen-9-ol
- IUPAC
- 2-Chloro-9-(prop-2-en-1-yl)-9H-thioxanthen-9-ol
- English name
- 9-allyl-2-chlorothioxanthen-9-ol
- Molecular formula
- C16H13ClOS
- Molecular weight
- 288.79
Names & synonyms
9-Allyl-2-chloro-9H-thioxanthen-9-ol9H-Thioxanthen-9-ol, 2-chloro-9-(2-propen-1-yl)-
Database identifiers
- CAS
33049-88-6- PubChem CID
- 118024
- DTXSID
DTXSID00954675- EC Number
- 251-362-3
- Nikkaji
- J319.495G
Properties
Physicochemical properties
- Melting point
- 77 · 77-78 °C
- Boiling point
- 430.7 · 430.7±45.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.58 · 12.58±0.20(Predicted)
- form
- solid
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChI
- 1S/C16H13ClOS/c1-2-9-16(18)12-5-3-4-6-14(12)19-15-8-7-11(17)10-13(15)16/h2-8,10,18H,1,9H2
- InChIKey
- TVKIVQFMOWEWHQ-UHFFFAOYSA-N
- SMILES
- S1c2c(cc(cc2)Cl)C(c3c1cccc3)(O)CC=C
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses9-Allyl-2-chlorothioxanthen-9-ol is an novel thiaxanthene compound that exerts depressant action on the central nervous system. 9-Allyl-2-chlorothioxanthen-9-ol was shown to potentiate the action of b arbiturates and analgesics and have a hypothermic effect.
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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Compound notes
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