Product Name: 4-Morpholineethanethiol (CAS NO.4542-46-5)
Molecular Formula: C6H13NOS
Molecular Weight: 147.23852g/mol
Mol File: 4542-46-5.mol
EINECS: 224-893-3
Boiling point: 220.7 °C at 760 mmHg
Flash Point: 87.3 °C
Density: 1.05 g/cm3
Surface Tension: 34.7 dyne/cm
Enthalpy of Vaporization: 45.71 kJ/mol
Vapour Pressure: 0.112 mmHg at 25°C
XLogP3-AA: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Morpholineethanethiol (CAS NO.4542-46-5):
IUPAC Name: 2-Morpholin-4-ylethanethiol
Canonical SMILES: C1COCCN1CCS
InChI: InChI=1S/C6H13NOS/c9-6-3-7-1-4-8-5-2-7/h9H,1-6H2
InChIKey: YZVWMFBVTTUSAW-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 316mg/kg (316mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 109, Pg. 108, 1957. |
Reported in EPA TSCA Inventory.
Poison by subcutaneous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS.
4-Morpholineethanethiol , its CAS NO. is 4542-46-5, the synonyms are 2-(4-Morpholinyl)ethanethiol ; 2-Morpholinoethanethiol ; 4-(2-Mercaptoethyl)morpholine ; 4-27-00-00106 (Beilstein Handbook Reference) ; BRN 0104376 ; Morpholine, 4-mercaptoethyl- ; N-Morpholylcysteamin ; Ethanethiol, morpholino- ; Morpholin-4-ylethylthiol .
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