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1,3,5-Triazine-2,4,6-(1H,3H,5H)-trithione trisodium salt

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Name

1,3,5-Triazine-2,4,6-(1H,3H,5H)-trithione trisodium salt

EINECS 241-749-5
CAS No. 17766-26-6 Density
Solubility Melting Point 82-84 °C(lit.)
Formula C3H3N3Na3S3 Boiling Point 382.2 °C at 760 mmHg
Molecular Weight 243.21 Flash Point 185 °C
Transport Information Appearance Colorless or light yellow crystal
Safety 26-36 Risk Codes 36
Molecular Structure Molecular Structure of 17766-26-6 (1,3,5-Triazine-2,4,6-(1H,3H,5H)-trithione trisodium salt) Hazard Symbols IrritantXi
Synonyms

1,3,5-Triazine-2,4,6(1H,3H,5H)-trithione,trisodium salt (9CI);s-Triazine-2,4,6-trithiol, trisodium salt (8CI);1,3,5-Triazine-2,4,6-trithiol trisodium;2,4,6-Trimercapto-s-triazine trisodiumsalt;Santhiol N-W;Sevar 2000;Sodium trithiocyanurate;Trimercapto-s-triazine trisodium salt;Trisodium1,3,5-triazine-2,4,6-trithiolate;Trisodium trithiocyanurate;Trisodiumtrithiocyanuric acid;1,3,5-triazine-2,4,6(1H,3H,5H)-trithione, sodium salt (1:3);1,3,5-triazine-2,4,6(1H,3H,5H)-trithione, trisodium salt;trisodium 1,3,5-triazine-2,4,6-tris(thiolate);1,3,5-Triazine-2,4,6-trithiol, trisodium salt;

 

1,3,5-Triazine-2,4,6-(1H,3H,5H)-trithione trisodium salt Specification

The Sodium trithiocyanurate, with the CAS registry number 17766-26-6 and EINECS registry number 241-749-5, has the systematic name of 1,3,5-triazine-2,4,6-trithiol, sodium salt (1:3). It belongs to the product category of Heterocyclic Compounds. And the molecular formula of this chemical is C3H3N3Na3S3.

The physical properties of Sodium trithiocyanurate are as following: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.8; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 155.07 Å2; (13)Flash Point: 185 °C; (14)Enthalpy of Vaporization: 60.59 kJ/mol; (15)Boiling Point: 382.2 °C at 760 mmHg; (16)Vapour Pressure: 1.05E-05 mmHg at 25°C. 

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

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[S-]c1nc([S-])nc([S-])n1
(2)InChI: InChI=1/C3H3N3S3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3
(3)InChIKey: NYVOYAFUSJONHU-DFZHHIFOAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 skin > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0556041,

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