Basic information
- CAS
2094-97-5- Standard SMILES
C1CSCO1- InChIKey
WJJSZTJGFCFNKI-UHFFFAOYSA-N- Molecular formula
- C3H6OS
- Average molar mass
- 90.15 g/mol
- Monoisotopic mass
- 90.01393581
Overview
structure
Names & identifiers
- Preferred name
- 1,3-Oxathiolane
- IUPAC
- 1,3-oxathiolane
- English name
- 1,3-oxathiolane
- Molecular formula
- C3H6OS
- Molecular weight
- 90.14
Names & synonyms
1,3-Oxathiolane2094-97-5DTXSID10175112RefChem:72895DTXCID60976031,3-Oxathiole, dihydro-1,3-OxothiolaneSCHEMBL6136SCHEMBL39216SCHEMBL59120SCHEMBL236088SCHEMBL511617
Show more names
SCHEMBL1865556SCHEMBL5799745SCHEMBL9585936SCHEMBL10553552SCHEMBL22032644WJJSZTJGFCFNKI-UHFFFAOYSA-NEN300-22197789InChI=1/C3H6OS/c1-2-5-3-4-1/h1-3H
Database identifiers
- CAS
2094-97-5- PubChem CID
- 65092
- DTXSID
DTXSID10175112- EC Number
- 170-838-0
- Nikkaji
- J102.060I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.1
Physicochemical properties
- Boiling point
- 127 · 127-129 °C
- Density
- 1.1779 g/cm3 · 1.1779 g/cm3
- 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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Changzhou PBpharmaceutical R&D Co.,Ltd0519-83990708 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
1 records
Compound notes
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