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| CAS No.: | 17766-26-6 |
|---|---|
| Name: | 1,3,5-Triazine-2,4,6-(1H,3H,5H)-trithione trisodium salt |
| Molecular Structure: | |
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| Formula: | C3H3N3Na3S3 |
| Molecular Weight: | 243.21 |
| 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; |
| EINECS: | 241-749-5 |
| Density: | 1.78g/cm3 |
| Melting Point: | 82-84 °C(lit.) |
| Boiling Point: | 382.2 °C at 760 mmHg |
| Flash Point: | 185 °C |
| Solubility: | 346.15g/L at 22℃ |
| Appearance: | Colorless or light yellow crystal |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36 |
| Safety: | 26-36 |
| PSA: | 114.57000 |
| LogP: | 1.54080 |
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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, |