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Basic Information
CAS No.: 39754-64-8
Name: tifemoxone
Molecular Structure:
Molecular Structure of 39754-64-8 (tifemoxone)
Formula: C11H13NO2S
Molecular Weight: 223.296
Synonyms: 6-Phenoxy-tetrahydrooxazin<1,3>-2-thion;Tifemoxona [INN-Spanish];Tifemoxonum [INN-Latin];6-phenoxymethyl-[1,3]oxazinane-2-thione;2H-1,3-Oxazine-2-thione,3,4,5,6-tetrahydro-6-phenoxymethyl;6-Phenoxymethyl-3,4,5,6-tetrahydro-2H-1,3-oxazine-2-thione;Tetrahydro-6-(phenoxymethyl)-2H-1,3-oxazine-2-thione;Tifemoxone;2H-1,3-Oxazine-2-thione,6-phenoxymethyl-3,4,5,6-tetrahydro;EINECS 254-620-3;Phenoxymethyl-6 tetrahydroxazine-1,3 thione-2;
Density: 1.24g/cm3
Melting Point: 148 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Boiling Point: 324.1°C at 760 mmHg
Flash Point: 149.8°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 62.58000
LogP: 2.05760
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Chemistry

IUPAC Name: 6-(phenoxymethyl)-1,3-oxazinane-2-thione
Synonyms of Phenoxymethyl-6-tetrahydroxazine-1,3-thione-2 (CAS NO.39754-64-8): Tifemoxone ; Tifemoxone [INN] ; 2H-1,3-Oxazine-2-thione, 6-phenoxymethyl-3,4,5,6-tetrahydro- ; 6-Phenoxymethyl-3,4,5,6-tetrahydro-2H-1,3-oxazine-2-thione ; BRN 0517442 ; EINECS 254-620-3 ; Tetrahydro-6-(phenoxymethyl)-2H-1,3-oxazine-2-thione ; Tifemoxona ; Tifemoxona [INN-Spanish] ; Tifemoxone ; Tifemoxonum ; Tifemoxonum [INN-Latin] ; UNII-09I93HJ3Y4 ; 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-phenoxymethyl- ; Tetrahydro-6-(phenoxymethyl)-2H-1,3-oxazine-2-thione
CAS NO: 39754-64-8
Molecular Formula of Phenoxymethyl-6-tetrahydroxazine-1,3-thione-2 (CAS NO.39754-64-8): C11H13NO2S 
Molecular Weight: 223.2914     
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 53.79 Å2
Index of Refraction: 1.607
Molar Refractivity: 62.08 cm3
Molar Volume: 179.6 cm3
Surface Tension: 54.4 dyne/cm
Density of Phenoxymethyl-6-tetrahydroxazine-1,3-thione-2 (CAS NO.39754-64-8): 1.24 g/cm3
Flash Point: 149.8 °C
Enthalpy of Vaporization: 56.61 kJ/mol
Boiling Point: 324.1 °C at 760 mmHg
Vapour Pressure: 0.000251 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 700mg/kg (700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 75, 1976.
rat LD50 oral 2200mg/kg (2200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

BLOOD: NORMOCYTIC ANEMIA		 Archives of Toxicology, Supplement. Vol. 1, Pg. 229, 1978.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.