Basic information
- CAS
5961-88-6- Standard SMILES
O=C1CCS(=O)(=O)O1- InChIKey
RVLHNHNPUBWSEE-UHFFFAOYSA-N- Molecular formula
- C3H4O4S
- Average molar mass
- 136.13 g/mol
- Monoisotopic mass
- 135.98302961
Names & identifiers
- Preferred name
- 1,2-Oxathiolan-5-one, 2,2-dioxide
- IUPAC
- 2,2-dioxooxathiolan-5-one
- English name
- B-SulfopropionicAnhydride
- Molecular formula
- C3H4O4S
- Molecular weight
- 136.13
Names & synonyms
5961-88-61,2-Oxathiolan-5-one, 2,2-dioxideSulfopropionic anhydride3-Sulfopropionic anhydrideSulfopropionic acid anhydride3-Sulfopropionic acid cyclic anhydridePropanoic acid, 3-sulfo-, cyclic anhydridePropionic acid, 3-sulfo-, cyclic anhydrideNSC 66415DTXSID8064068RefChem:72117DTXCID1042655
Show more names
β-Sulfopropionic Anhydrideb-Sulphopropionic Anhydride1,2λ6-oxathiolane-2,2,5-trione1,2$l^{6}-oxathiolane-2,2,5-trione1,2-Lambda(6)-oxathiolane-2,2,5-trionecyclic anhydride of β-sulfopropionic acid
1,2-Oxathiolan-5-one 2,2-dioxide2,2-dioxooxathiolan-5-oneSulfopropanoic anhydride.beta.-Sulfopropionic anhydrideNSC66415NSC-664151,2lambda6-oxathiolane-2,2,5-trioneB-SulfopropionicAnhydride
Database identifiers
- CAS
5961-88-6- PubChem CID
- 80064
- DTXSID
DTXSID8064068- UNII
- 4FN2AZ7EUW
- EC Number
- 833-074-5
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 247.9 · 247.9±23.0 °C(Predicted)
- Density
- 1.643 · 1.643±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C3H4O4S/c4-3-1-2-8(5,6)7-3/h1-2H2
- InChIKey
- RVLHNHNPUBWSEE-UHFFFAOYSA-N
- SMILES
- C1(OS(=O)(=O)CC1)=O
- EPA Substance Registry System
- 1 · 1,2-Oxathiolan-5-one, 2,2-dioxide (5961-88-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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, 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%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Oxathiolan-5-one, 2,2-dioxide: INACTIVE
Suppliers9 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海三牧化工技术有限公司021-38681880 13817889927
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
Dr. J. Pharmachem (India)+91 20 24332987 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
2 records
Compound notes
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