Back to Search
Molecule
1,3,5-Triazine-2,4,6(1H,3H,5H)-Trithione, Sodium Salt (1:3)
CAS: 17766-26-6 · C3H3N3Na3S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17766-26-6
- Molecular Formula
- C3H3N3Na3S3
- Molecular Mass
- 246.25 g/mol
Identifiers
CAS Registry Number
17766-26-6
SMILES
Sc1nc(S)nc(S)n1.[Na].[Na].[Na]
InChI Key
YQHCWFVOBRIHOM-UHFFFAOYSA-N
InChI
InChI=1S/C3H3N3S3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;
Names and Synonyms
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-Trithione, Sodium Salt (1:3) Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trithione, sodium salt (1:3) Synonym
- s-Triazine-2,4,6-trithiol, trisodium salt Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trithione, trisodium salt Synonym
- 2,4,6-Trimercapto-s-triazine trisodium salt Synonym
- Sodium trithiocyanurate Synonym
- Trithiocyanuric acid trisodium salt Synonym
- Trisodium 1,3,5-triazine-2,4,6-trithiolate Synonym
- Trisodium trithiocyanurate Synonym
- Sevar 2000 Synonym
- Trimercapto-s-triazine trisodium salt Synonym
- Trisodium trithiocyanuric acid Synonym
- 1,3,5-Triazine-2,4,6-trithiol trisodium Synonym
- Santhiol N-W Synonym
- TMT 18 Synonym
- 1,3,5-Triazine-2,4,6-trithiol trisodium salt Synonym
- 2,4,6-Trimercapto-1,3,5-triazine trisodium salt Synonym
- sym-Triazinetrithiol trisodium salt Synonym
- Sodium thiocyanurate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.25 g/mol | CAS Common Chemistry |
| 246.24900000000005 g/mol | RDKit | |
| 246.249 g/mol | RDKit | |
| 251.145 g/mol | chempirical lib | |
| Canonical SMILES | [Na].S=C1NC(=S)NC(=S)N1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H3N3S3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;; | CAS Common Chemistry |
| InChI Key | InChIKey=YQHCWFVOBRIHOM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trithione, sodium salt (1:3) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| LogP | -0.4047000000000001 | RDKit |
| -0.4047 | RDKit | |
| Molar Refractivity | 58.845000000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 245.91821793599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 246.25 g/mol. Edit any field — others recompute live.
