Basic information
- CAS
107-61-9- Standard SMILES
O=S1(=O)CCOCC1- InChIKey
WWRUZECKUVNAPB-UHFFFAOYSA-N- Molecular formula
- C4H8O3S
- Average molar mass
- 136.17 g/mol
- Monoisotopic mass
- 136.01941529
Overview
1,4Lambda~6~-oxathiane-4,4-dione is an oxacycle and an organosulfur heterocyclic compound.
Names & identifiers
- Preferred name
- 1,4-Oxathiane, 4,4-dioxide
- IUPAC
- 1,4-oxathiane 4,4-dioxide
- English name
- 1,4-Thioxane-1,1-dioxide
- Molecular formula
- C4H8O3S
- Molecular weight
- 136.17
Names & synonyms
107-61-91,4-Oxathiane 4,4-Dioxide1,4-OXATHIANE, 4,4-DIOXIDEp-Thioxane sulfoneOxathiane 4,4-dioxideUSAF DO-38EINECS 203-507-7NSC 39595BRN 0110609DTXSID20593524-19-00-00034 (Beilstein Handbook Reference)RefChem:416983
Show more names
usafdo-38thioxanesulfoneCompound Fr14268p-thioxanesulfoneoxathiane4,4-dioxide1,4-Oxathianesulfone1,4-Thioxan-1,1-dioxide
DTXCID5033044203-507-71,4-Thioxane-1,1-dioxide4,4-Dioxo-1,4-oxathianeThioxane sulfone1,4-Thioxane 1,1-DioxideMFCD000116831,4-oxathiane sulfone
Database identifiers
- CAS
107-61-9- PubChem CID
- 7878
- DTXSID
DTXSID2059352- ChEBI
CHEBI:194844- UNII
- RE8GT96GQ7
- EC Number
- 203-507-7
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 131 · 131-133 °C
- Boiling point
- 220.45 °C · 220.45°C (rough estimate)
- Density
- 1.283 · 1.283 (estimate)
- refractive index
- 1.464 · 1.4640 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- color
- White to Almost white
- BRN
- 110609 · 110609
- InChI
- InChI=1S/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2
- InChIKey
- WWRUZECKUVNAPB-UHFFFAOYSA-N
- SMILES
- O1CCS(=O)(=O)CC1
- CAS DataBase Reference
- 107 · 107-61-9(CAS DataBase Reference)
- FDA UNII
- 8 GT96GQ7 · RE8GT96GQ7
- EPA Substance Registry System
- 1 · 1,4-Oxathiane, 4,4-dioxide (107-61-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- RP4375000
- hs_code
- 2934999090
- Toxicity
- mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD277-689,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Oxathiane, 4,4-dioxide: INACTIVE
Applications
Description1,4-Thioxane-1,1-dioxide is a heterocyclic compound with sulfur and oxygen.
Suppliers90 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京科朗科技有限公司025-58748998 18951874644 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…