Tetrahydro-4-hydroxy-2H-thiopyran-4-carboxylic acid
Basic information
- CAS
50289-21-9- Standard SMILES
O=C(O)C1(O)CCSCC1- InChIKey
FZYKJBAASYSRCW-UHFFFAOYSA-N- Molecular formula
- C6H10O3S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.03506535
Names & identifiers
- Preferred name
- Tetrahydro-4-hydroxy-2H-thiopyran-4-carboxylic acid
- IUPAC
- 4-hydroxythiane-4-carboxylic acid
- English name
- 4-Hydroxy-tetrahydro-thiopyran-4-carboxylic acid
- Molecular formula
- C6H10O3S
- Molecular weight
- 162.21
Names & synonyms
50289-21-9Tetrahydro-4-hydroxy-2H-thiopyran-4-carboxylic acidRefChem:3841534-hydroxythiane-4-carboxylic acid4-hydroxytetrahydro-2H-thiopyran-4-carboxylic acid4-hydroxy-tetrahydro-thiopyran-4-carboxylic acidMFCD14628640SCHEMBL200684214-hydroxythiane-4-carboxylicacidDTXSID901222000ACA28921AKOS010593625
Show more names
2H-Thiopyran-4-carboxylic acid, tetrahydro-4-hydroxy-
BS-12383CS-02250394-hydroxytetrahydrothiopyran-4-carboxylic acidEN300-122340Z803080616
Database identifiers
- CAS
50289-21-9- PubChem CID
- 61338558
- DTXSID
DTXSID901222000- EC Number
- 983-413-7
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 367.7 · 367.7±42.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- 3.63 · 3.63±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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