4-Morpholineethanethiol

HCID 20666

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Basic information

CAS: 4542-46-5
Standard SMILES: SCCN1CCOCC1
InChIKey: YZVWMFBVTTUSAW-UHFFFAOYSA-N
Molecular formula: C6H13NOS
Average molar mass: 147.24 g/mol
Monoisotopic mass: 147.07178521

Names & identifiers

Preferred name: 4-Morpholineethanethiol
IUPAC: 2-morpholin-4-ylethanethiol
English name: morpholin-4-ylethylthiol
Molecular formula: C6H13NOS
Molecular weight: 147.24

Names & synonyms

4542-46-54-Morpholineethanethiol2-Morpholinoethanethiol2-(4-Morpholinyl)ethanethiolMorpholine, 4-mercaptoethyl-N-MorpholylcysteaminN-Morpholylcysteamin [German]4-(2-Mercaptoethyl)morpholineETHANETHIOL, MORPHOLINO-BRN 0104376EINECS 224-893-34-Morpholinethanethiol

Show more names

2-morpholinoethane-1-thiol2-(morpholino)ethane-1-thiol2-(morpholin-4-yl)ethane-1-thiol

4-27-00-00106 (Beilstein Handbook Reference)Ethanethiol, 2-morpholino-DTXSID1063514RefChem:99984DTXCID0040412YZVWMFBVTTUSAW-UHFFFAOYSA-N2-(morpholin-4-yl)ethane-1-thiolMorpholin-4-ylethylthiol

Database identifiers

CAS: 4542-46-5
PubChem CID: 20666
DTXSID: DTXSID1063514
EC Number: 224-893-3
Nikkaji: J297.807E

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 13.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 73

Physicochemical properties

Boiling point: 110.5 °C · 110.5°C
Density: 1.017 · 1.017 (estimate)
refractive index: 1.55 · 1.5500 (estimate)
pka: 10.17 · 10.17±0.10(Predicted)
EPA Substance Registry System: 4 · 4-Morpholineethanethiol (4542-46-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H332-H315-H312-H335
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H332-H315-H312-H335
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501