Basic information
- CAS
6211-59-2- Standard SMILES
O=S1(=O)C=CC(O)C1- InChIKey
UGEUCEAIWUTYIC-UHFFFAOYSA-N- Molecular formula
- C4H6O3S
- Average molar mass
- 134.16 g/mol
- Monoisotopic mass
- 134.00376522
Names & identifiers
- Preferred name
- Thiophene-3-ol, 2,3-dihydro-, 1,1-dioxide
- IUPAC
- 1,1-dioxo-2,3-dihydrothiophen-3-ol
Names & synonyms
2,3-Dihydrothiophene-3-ol 1,1-dioxide3-Hydroxy-2,3-dihydrothiophene 1,1-dioxide3-Hydroxysulfolene-24-Hydroxysulfol-2-eneBRN 00028233-Hydroxy-2,3-dihydro-1lambda6-thiophene-1,1-dioneThiophene-3-ol, 2,3-dihydro-, 1,1-dioxide4-17-00-01180 (Beilstein Handbook Reference)RefChem:897905893-284-86211-59-21,1-dioxo-2,3-dihydrothiophen-3-ol
Show more names
3-thiopheneol, 2,3-dihydro-, 1,1-dioxide4-hydroxy-4,5-dihydrothiophene-1,1-dione4-hydroxy-2-sulfoleneF1294-0014SCHEMBL22087474DTXSID40977707ALBB-025077GAA21159
Database identifiers
- CAS
6211-59-2- PubChem CID
- 201549
- DTXSID
DTXSID40977707- EC Number
- 893-284-8
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 196
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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