Basic information
- CAS
14315-13-0- Standard SMILES
O=S1(=O)CCc2ccccc21- InChIKey
NKPTVQFJWGCELJ-UHFFFAOYSA-N- Molecular formula
- C8H8O2S
- Average molar mass
- 168.21 g/mol
- Monoisotopic mass
- 168.02450067
Names & identifiers
- Preferred name
- 2,3-Dihydro-1lambda6-benzothiophene-1,1-dione
- IUPAC
- 2,3-dihydro-1-benzothiophene 1,1-dioxide
- English name
- 2,3-Dihydrobenzo[b]thiophene 1,1-dioxide
- Molecular formula
- C8H8O2S
- Molecular weight
- 168.21
Names & synonyms
2,3-Dihydro-1lambda6-benzothiophene-1,1-dioneRefChem:442282893-822-114315-13-02,3-Dihydrobenzo[b]thiophene 1,1-dioxide2,3-dihydro-1-benzothiophene 1,1-dioxideBenzo[b]thiophene,2,3-dihydro-, 1,1-dioxide1-Thiaindan 1,1-dioxideBenzo[b]thiophene, 2,3-dihydro-, 1,1-dioxide2,3-DIHYDRO-1??-BENZOTHIOPHENE-1,1-DIONENSC-140239NSC140239
Show more names
2,3-dihydrobenzo[b]thiophene 1,1-dioxide(WXC08768)
2,3-Dihydrobenzo[b]thiophene1,1-dioxideAHT3F3DWS6SCHEMBL61667SCHEMBL560870SCHEMBL1156129SCHEMBL2918638SCHEMBL3754860SCHEMBL3756374
Database identifiers
- CAS
14315-13-0- PubChem CID
- 284423
- DTXSID
DTXSID80300974- UNII
- AHT3F3DWS6
- EC Number
- 893-822-1
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
- 11
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- FDA UNII
- 3 F3DWS6 · AHT3F3DWS6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Shanghai Gubang New Materail Technology Co. LTD21-51317962 +86-18721305404 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
5 records
Compound notes
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