Thian-2-ol
Basic information
- CAS
14711-63-8- Standard SMILES
OC1CCCCS1- InChIKey
LYNLMSYCBSCQEF-UHFFFAOYSA-N- Molecular formula
- C5H10OS
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.04523611
Names & identifiers
- Preferred name
- Thian-2-ol
- IUPAC
- thian-2-ol
- English name
- 2-Hydroxypentamethylene sulfide
- Molecular formula
- C5H10OS
- Molecular weight
- 118.2
Names & synonyms
Thian-2-ol14711-63-8DTXSID70566103RefChem:384478DTXCID605168792-Hydroxypentamethylene SulfideTetrahydro-2H-thiopyran-2-ol2H-Thiopyran-2-ol, tetrahydro-tetrahydrothiopyranolstarbld0039416SCHEMBL669567SCHEMBL971357
Show more names
HPMS
SCHEMBL1273327SCHEMBL5323871AKOS006278677
Database identifiers
- CAS
14711-63-8- PubChem CID
- 14959631
- DTXSID
DTXSID70566103- Nikkaji
- J921.382A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Physicochemical properties
- Melting point
- 50 · 50-52°C
- Boiling point
- 218.8 · 218.8±33.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform, Methanol
- form
- Solid
- pka
- 13.48 · 13.48±0.20(Predicted)
- color
- White Low Melting
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA novel-aldehyde-terminated self-assembled monlayer that can covalently bind amine-containing molecules from solution without using other reagents.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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