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Cas Database |
| Name |
Tritiozine |
EINECS | N/A |
| CAS No. | 35619-65-9 | Density | 1.211g/cm3 |
| PSA | 72.25000 | LogP | 1.65800 |
| Solubility | N/A | Melting Point |
141-143° |
| Formula | C14H19 N O4 S | Boiling Point | 420.8°Cat760mmHg |
| Molecular Weight | 297.375 | Flash Point | 208.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Morpholine,4-[thioxo(3,4,5-trimethoxyphenyl)methyl]- (9CI);4-(3,4,5-Trimethoxythiobenzoyl)morpholine; ISF 2001;N-(3,4,5-Trimethoxythiobenzoyl)morpholine; Sulmetozine; Tresanil; Trithiozine;Tritiozine |
Article Data | 3 |
Tritiozine Chemical Properties
Product Name: Tritiozine (CAS NO.35619-65-9)
Molecular Formula: C14H19NO4S
Molecular Weight: 297.40g/mol
Mol File: 35619-65-9.mol
Einecs: 252-645-4
Boiling point: 420.8 °C at 760 mmHg
Flash Point: 208.3 °C
Density: 1.211 g/cm3
Surface Tension: 47.2 dyne/cm
Enthalpy of Vaporization: 67.47 kJ/mol
Vapour Pressure: 2.73E-07 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Tritiozine (CAS NO.35619-65-9):
IUPAC Name: morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2
InChI: InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey: MVOUIYUWRXPNKD-UHFFFAOYSA-N
Tritiozine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION | Chimica Therapeutica. Vol. 8, Pg. 462, 1973. |
| mouse | LD50 | oral | 3gm/kg (3000mg/kg) | Proceedings of the International Congress of Pharmacology, 6th, Helsinki, July 20-25, 1975," Tuomisto, J., and M.K. Paasonen, eds., Vol. 6, Pg. 68, 1976. | |
| rat | LD50 | oral | 670mg/kg (670mg/kg) | Farmaco, Edizione Scientifica. Vol. 38, Pg. 811, 1983. |
Tritiozine Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
Tritiozine Specification
Tritiozine ,its CAS NO. is 35619-65-9,the synonyms is Morpholine, 4-(3,4,5-trimethoxythiobenzoyl)- ; Morpholine, 4-(thioxo(3,4,5-trimethoxyphenyl)methyl)- (9CI) ; 4-(3,4,5-Trimethoxythiobenzoyl)morpholine ; 4-(3,4,5-Trimethoxythiobenzoyl)tetrahydro-1,4-oxazine ; 4-(Thioxo(3,4,5-trimethoxyphenyl)methyl)morpholine ; BRN 1222876 ; EINECS 252-645-4 ; ISF 2001 ; Tritiozinum ; UNII-93VJ1QVD6V .
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