Thiolan-3-ol
Basic information
- CAS
3334-05-2- Standard SMILES
OC1CCSC1- InChIKey
BJYXNFYVCZIXQC-UHFFFAOYSA-N- Molecular formula
- C4H8OS
- Average molar mass
- 104.17 g/mol
- Monoisotopic mass
- 104.02958605
Names & identifiers
- Preferred name
- Thiolan-3-ol
- IUPAC
- thiolan-3-ol
- English name
- Tetrahydro-thiophen-3-ol
- Molecular formula
- C4H8OS
- Molecular weight
- 104.17
Names & synonyms
thiolan-3-olRefChem:897825836-242-6Tetrahydrothiophen-3-ol3334-05-2TETRAHYDRO-THIOPHEN-3-OL3-Hydroxytetrahydrothiophenetetrahydro-3-thiopheneol79107-71-4MFCD00121060Thiophene-3-ol, tetrahydro-tetrahydrothiophene-3-ol
Show more names
(R)-tetrahydrothiophen-3-olTetrahydro-Thiophen-3-Ol(WX642050)tetrahydro-3-thiopheneol(SALTDATA: FREE)
3-thiopheneol, tetrahydro-hiolan-3-olNSC241152Thiacyclopentane-3-olTetrahydro-3-thiophenol #SCHEMBL69923SCHEMBL5252353(S)-hydroxytetrahydrothiophene
Database identifiers
- CAS
3334-05-2- PubChem CID
- 315652
- EC Number
- 836-242-6
- Nikkaji
- J1.968.760K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Physicochemical properties
- Boiling point
- 84 · 84-85 °C(Press: 7 Torr)
- Density
- 1.1762 g/cm3 · 1.1762 g/cm3
- storage temp.
- 2 · 2-8°C
- pka
- 14.43 · 14.43±0.20(Predicted)
- Appearance
- Light yellow to yellow Liquid
- InChI
- InChI=1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2
- InChIKey
- BJYXNFYVCZIXQC-UHFFFAOYSA-N
- SMILES
- C1SCCC1O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
3 records
Compound notes
Loading…