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13764-35-7

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Basic Information
CAS No.: 13764-35-7
Name: 10H-Phenothiazine-10-carbodithioic acid 2-(diethylamino)ethyl ester
Molecular Structure:
Molecular Structure of 13764-35-7 (10H-Phenothiazine-10-carbodithioic acid 2-(diethylamino)ethyl ester)
Formula: C19H22N2S3
Molecular Weight: 374.61
Synonyms: 7360 RP;RP 7360;10-<2-Diaethylamino-aethylmercaptothiocarbonyl>-phenothiazin;Phenothiazinyl-10 dithiocarboxylate de diethylaminoethyle;phenothiazine-10-carbodithioic acid 2-diethylamino-ethyl ester;
Density: 1.25g/cm3
Boiling Point: 489°C at 760 mmHg
Flash Point: 249.6°C
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also ESTERS.
PSA: 89.17000
LogP: 5.71420
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Chemistry

IUPAC Name: 6-(phenoxymethyl)-1,3-oxazinane-2-thione
Synonyms of Phenothiazine-10-carbodithioic acid, 2-(diethylamino)ethyl (CAS NO.13764-35-7): (Diethylamino)ethyl phenothiazinyl-10-dithiocarboxylate ; 7360 RP ; BRN 0760582 ; Diethylaminoethylphenothiazinyl-10-dithiocarboxylate ; NSC 169473 ; Phenothiazinyl-10 dithiocarboxylate de diethylaminoethyle ; Phenothiazinyl-10 dithiocarboxylate de diethylaminoethyle [French] ; RP 7360 ; 10H-Phenothiazine-10-carbodithioic acid, 2-(diethylamino)ethyl ester (9CI)
CAS NO: 13764-35-7
Molecular Formula of Phenothiazine-10-carbodithioic acid, 2-(diethylamino)ethyl (CAS NO.13764-35-7): C19H22N2S3
Molecular Weight: 374.5864      
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 89.17 Å2
Index of Refraction: 1.672
Molar Refractivity: 112.26 cm3
Molar Volume: 299.4 cm3
Surface Tension: 58.7 dyne/cm
Density of Phenothiazine-10-carbodithioic acid, 2-(diethylamino)ethyl (CAS NO.13764-35-7): 1.25 g/cm3
Flash Point: 249.6 °C
Enthalpy of Vaporization: 75.53 kJ/mol
Boiling Point: 489 °C at 760 mmHg
Vapour Pressure: 1.03E-09 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 154, Pg. 965, 1960.
mouse LD50 intravenous 35mg/kg (35mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 154, Pg. 965, 1960.
mouse LD50 oral 400mg/kg (400mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 154, Pg. 965, 1960.
mouse LD50 subcutaneous 800mg/kg (800mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 154, Pg. 965, 1960.
rat LD50 oral 2gm/kg (2000mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 154, Pg. 965, 1960.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 154, Pg. 965, 1960.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also ESTERS.