2-Ethoxyethanethiol

HCID 28497CAS 17362-04-8

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Basic information

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 Å²
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

GHS classification

GHS Classification · 4 items

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.