Basic information
- CAS
183133-90-6- Standard SMILES
COc1ccc2cc(Br)sc2c1- InChIKey
ZPGUHASFFYDIDX-UHFFFAOYSA-N- Molecular formula
- C9H7BrOS
- Average molar mass
- 243.12 g/mol
- Monoisotopic mass
- 241.94009794
Names & identifiers
- Preferred name
- 2-Bromo-6-methoxybenzo[b]thiophene
- IUPAC
- 2-bromo-6-methoxy-1-benzothiophene
- English name
- 2-BROMO-1-BENZOTHIEN-6-YL METHYL ETHER
- Molecular formula
- C9H7BrOS
- Molecular weight
- 243.12
Names & synonyms
183133-90-62-bromo-6-methoxybenzo[b]thiophene2-BROMO-6-METHOXY-1-BENZOTHIOPHENE2-Bromo-1-benzothien-6-yl methyl etherBenzo[b]thiophene, 2-bromo-6-methoxy-MFCD11101039SCHEMBL44388442-Bromo-6-methoxybenzothiopheneSCHEMBL297710482-bromo-6-methoxy-benzothiopheneDTXSID70634679ZPGUHASFFYDIDX-UHFFFAOYSA-N
Show more names
DA-09006
Database identifiers
- CAS
183133-90-6- PubChem CID
- 23512902
- DTXSID
DTXSID70634679
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 326.5 · 326.5±22.0 °C(Predicted)
- Density
- 1.586 · 1.586±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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