2-Ethoxyethanethiol
Basic information
- CAS
17362-04-8- Standard SMILES
CCOCCS- InChIKey
ZKHZEAOYIJBZBM-UHFFFAOYSA-N- Molecular formula
- C4H10OS
- Average molar mass
- 106.19 g/mol
- Monoisotopic mass
- 106.04523594
Names & identifiers
- Preferred name
- 2-Ethoxyethanethiol
- IUPAC
- 2-ethoxyethanethiol
- English name
- 2-ethoxyethanethiol
- Molecular formula
- C4H10OS
- Molecular weight
- 106.19
Names & synonyms
2-Ethoxyethanethiol2-ethoxyethane-1-thiol17362-04-8Ethanethiol, 2-ethoxy-TT795DE88EEINECS 241-390-4DTXSID30169639RefChem:86839DTXCID8092130241-390-42-mercaptoethyl ethyl ether2-Thioather
Show more names
UNII-TT795DE88ESCHEMBL193452SCHEMBL193453SCHEMBL547441SCHEMBL5248014NS00025702EN300-95872
Database identifiers
- CAS
17362-04-8- PubChem CID
- 28497
- DTXSID
DTXSID30169639- UNII
- TT795DE88E
- EC Number
- 241-390-4
- Nikkaji
- J135.418C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 10.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.5
Physicochemical properties
- Boiling point
- 37 · 37-40 °C(Press: 15 Torr)
- Density
- 0.9412 g/cm3 · 0.9412 g/cm3
- pka
- 1 · pK1:9.38 (25°C)
- FDA UNII
- 795 DE88E · TT795DE88E
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
Danger
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+P354+P338, P317, P319, P321, P330, P332+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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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