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1,3,5-Triazine-2,4(1H,3H)-dithione,6-amino-

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Name

1,3,5-Triazine-2,4(1H,3H)-dithione,6-amino-

EINECS 220-463-4
CAS No. 2770-75-4 Density 1.99 g/cm3
PSA 142.29000 LogP 0.61240
Solubility N/A Melting Point 300 °C
Formula C3H4N4S2 Boiling Point 267.2 °C at 760 mmHg
Molecular Weight 160.224 Flash Point 115.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2770-75-4 (2-AMINO-1,3,5-TRIAZINE-4,6-DITHIOL) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Ammelide,dithio- (6CI);s-Triazine-2,4-dithiol, 6-amino- (7CI,8CI);2-Amino-1,3,5-triazine-4,6-dithiol;2-Amino-4,6-dimercapto-s-triazine;Dithioammelide;NSC 8147;6-amino-1,3,5-triazine-2,4(1H,3H)-dithione;6-amino-1H-1,3,5-triazine-2,4-dithione;6-amino-1,3,5-triazine-2,4-dithiol;1,3,5-triazine-2,4-dithiol, 6-amino-;

 

1,3,5-Triazine-2,4(1H,3H)-dithione,6-amino- Specification

The 1,3,5-Triazine-2,4(1H,3H)-dithione,6-amino-, with the CAS registry number 2770-75-4 and EINECS registry number 220-463-4, has the systematic name of 6-amino-1,3,5-triazine-2,4(1H,3H)-dithione. It should be stored in the dry and cool environment. And the molecular formula of the chemical is C3H4N4S2.

The characteristics of 1,3,5-Triazine-2,4(1H,3H)-dithione,6-amino- are as followings: (1)ACD/LogP: -1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 86.26 Å2; (13)Index of Refraction: 1.976; (14)Molar Refractivity: 39.54 cm3; (15)Molar Volume: 80.3 cm3; (16)Polarizability: 15.67×10-24cm3; (17)Surface Tension: 78.7 dyne/cm; (18)Density: 1.99 g/cm3; (19)Flash Point: 115.4 °C; (20)Enthalpy of Vaporization: 50.52 kJ/mol; (21)Boiling Point: 267.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00827 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C1NC(=N/C(=S)N1)\N
(2)InChI: InChI=1/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
(3)InChIKey: QQLZTRHXUSFZOM-UHFFFAOYAH

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