Basic information
- CAS
33775-94-9- Standard SMILES
CSc1ccccc1I- InChIKey
YENHZHSFWAPGIR-UHFFFAOYSA-N- Molecular formula
- C7H7IS
- Average molar mass
- 250.1 g/mol
- Monoisotopic mass
- 249.93131922
Names & identifiers
- Preferred name
- 1-Iodo-2-methylsulfanylbenzene
- IUPAC
- 1-iodo-2-methylsulfanylbenzene
- English name
- 2-Iodothioanisole
- Molecular formula
- C7H7IS
- Molecular weight
- 250.1
Names & synonyms
1-iodo-2-methylsulfanylbenzeneRefChem:433244670-928-42-Iodothioanisole33775-94-9(2-Iodophenyl)(methyl)sulfane1-iodo-2-(methylthio)benzene1-iodo-2-(methylsulfanyl)benzeneMFCD000516111-Iodo-2-methylsulfanyl-benzene2-IODOPHENYL METHYL SULFIDEBenzene, 1-iodo-2-(methylthio)-
Show more names
2-Iodothioanioleo-Iodothioanisole2-Iodine Anise Sulfideo-Iodophenyl(methyl) sulfideMethyl[2-iodophenyl] sulfide1-(Methylthio)-2-iodobenzene
2-(METHYLTHIO)IODOBENZENE2-methylmercaptoiodobenzene2-iodo-1-methylthiobenzeneSCHEMBL767433SCHEMBL2976127SCHEMBL2976128DTXSID50384246AKOS009158539
Database identifiers
- CAS
33775-94-9- PubChem CID
- 2801416
- DTXSID
DTXSID50384246- EC Number
- 670-928-4
- Nikkaji
- J308.299G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 129 °C · 129 °C
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- refractive index
- 1.682 · 1.682
- Flash point
- 129 · 129-131°C/3mm
- storage temp.
- 2 · 2-8°C(protect from light)
- Appearance
- Light yellow to brown Liquid
- Sensitive
- Light Sensitive
- BRN
- 2516385 · 2516385
- CAS DataBase Reference
- 33775 · 33775-94-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- LIGHT SENSITIVE, STENCH
- HS Code
- 29309090 · 29309090
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 29309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- LIGHT SENSITIVE, STENCH
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Iodothioanisole is a synthetic compound that is used as an inhibitor of the enzyme cox-2. It has been shown to inhibit the production of prostaglandins.
Upstream & downstream products
Downstream products
Suppliers76 total
上海策嵘生物科技有限公司[email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Related reactions
4 records
Compound notes
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