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Basic Information
CAS No.: 35619-65-9
Name: Tritiozine
Article Data: 3
Molecular Structure:
Molecular Structure of 35619-65-9 (Tritiozine)
Formula: C14H19 N O4 S
Molecular Weight: 297.375
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
Density: 1.211g/cm3
Melting Point: 141-143°
Boiling Point: 420.8°Cat760mmHg
Flash Point: 208.3°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
PSA: 72.25000
LogP: 1.65800
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Chemistry

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

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.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.

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 .