Basic information
- CAS
5687-92-3- Standard SMILES
O=S1(=O)CCC1- InChIKey
FCFMKFHUNDYKEG-UHFFFAOYSA-N- Molecular formula
- C3H6O2S
- Average molar mass
- 106.15 g/mol
- Monoisotopic mass
- 106.0088506
Names & identifiers
- Preferred name
- Thietane 1,1-dioxide
- IUPAC
- thietane 1,1-dioxide
- English name
- Thietane-1,1-dioxide
- Molecular formula
- C3H6O2S
- Molecular weight
- 106.14
Names & synonyms
thietane 1,1-dioxide5687-92-3thietane, 1,1-dioxideDTXSID40295433RefChem:189391DTXCID90246571InChI=1/C3H6O2S/c4-6(5)2-1-3-6/h1-3HTHIETANE-1,1-DIOXIDETrimethylene sulfoneMFCD00088478Thietane dioxide1lambda6-Thietane-1,1-dione
Show more names
1λ?-thietane-1,1-dione
1lambda~6~-thietane-1,1-dioneNSC-101885GKF638T3KC1lambda-thietane-1,1-dionethietane1,1-dioxideXFVNSC101885thietan 1,1-dioxid
Database identifiers
- CAS
5687-92-3- PubChem CID
- 265652
- DTXSID
DTXSID40295433- UNII
- GKF638T3KC
- EC Number
- 855-468-6
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- 72 to · 72.0 to 76.0 °C
- Boiling point
- 180 °C/30mmHg · 180°C/30mmHg(lit.)
- Density
- 1.21 · 1.210 (estimate)
- refractive index
- 1.5156 · 1.5156
- form
- solid
- CAS DataBase Reference
- 5687 · 5687-92-3
- FDA UNII
- 638 T3KC · GKF638T3KC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 305 · P305+P351+P338-P280
- HazardClass
- IRRITANT
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 (50%): 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)
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 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P305+P351+P338-P280
Chemistry & industry
Suppliers20 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…