Basic information
- CAS
90150-99-5- Standard SMILES
COc1ccc(Br)cc1S- InChIKey
NVWMBFHESONALO-UHFFFAOYSA-N- Molecular formula
- C7H7BrOS
- Average molar mass
- 219.1 g/mol
- Monoisotopic mass
- 217.94009794
Names & identifiers
- Preferred name
- 5-Bromo-2-methoxybenzenethiol
- IUPAC
- 5-bromo-2-methoxybenzenethiol
Names & synonyms
5-bromo-2-methoxybenzene-1-thiol90150-99-55-BROMO-2-METHOXYBENZENETHIOLDTXSID901307195RefChem:533303DTXCID101737140832-966-15-Bromo-2-methoxythiophenolBenzenethiol, 5-bromo-2-methoxy-5-bromo-2-methoxy-benzenethiolSCHEMBL470142-methoxy-5-bromo-thiophenol
Show more names
NVWMBFHESONALO-UHFFFAOYSA-NQDA15099EN300-85417G22364F038041Z367661854
Database identifiers
- CAS
90150-99-5- PubChem CID
- 11276017
- DTXSID
DTXSID901307195- EC Number
- 832-966-1
- Nikkaji
- J1.928.149C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 10.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Safety & regulation
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, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
4 records
Compound notes
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