Benzo(b)thiophene 1,1-dioxide, 3-methyl-
Basic information
- CAS
6406-91-3- Standard SMILES
CC1=CS(=O)(=O)c2ccccc21- InChIKey
DCAZNDCIMXHKOS-UHFFFAOYSA-N- Molecular formula
- C9H8O2S
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.02450067
Names & identifiers
- Preferred name
- Benzo(b)thiophene 1,1-dioxide, 3-methyl-
- IUPAC
- 3-methyl-1-benzothiophene 1,1-dioxide
- English name
- 3-Methylbenzo[b]thiophene dioxide
- Molecular formula
- C9H8O2S
- Molecular weight
- 180.22
Names & synonyms
6406-91-33-methyl-1lambda6-benzothiophene-1,1-dioneBenzo(b)thiophene 1,1-dioxide, 3-methyl-Benzo[b]thiophene 1,1-dioxide, 3-methyl-DTXSID10214257RefChem:565169DTXCID10136748999-877-93-Methylbenzothiophene 1,1-dioxide3-Methylbenzo[b]thiophene 1,1-dioxide3-Methyl-1-benzothiophene 1,1-dioxide3-Methylbenzo[b]thiophene dioxide
Show more names
MFCD086954113-Methyl-benzo(b)thiophene-1,1-dioxideBenzo[b]thiophene, 3-methyl-, 1,1-dioxideSCHEMBL8178818SCHEMBL10242855SCHEMBL18446138SCHEMBL31009842DCAZNDCIMXHKOS-UHFFFAOYSA-N
Database identifiers
- CAS
6406-91-3- PubChem CID
- 138741
- DTXSID
DTXSID10214257- EC Number
- 999-877-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 308
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
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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