tris(sodiosulfanyl)-1,3,5-triazine

• ChemBase ID: 152548
• Molecular Formular: C3N3Na3S3
• Molecular Mass: 243.21651
• Monoisotopic Mass: 242.89474286
• SMILES: c1(nc(nc(n1)S[Na])S[Na])S[Na]
• Canonical SMILES: [Na]Sc1nc(S[Na])nc(n1)S[Na]
• InChI: InChI=1S/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
• InChIKey: NYVOYAFUSJONHU-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(sodiosulfanyl)-1,3,5-triazine
• IUPAC Traditional name: tris(sodiosulfanyl)-1,3,5-triazine
• Synonyms: Trisodium 1,3,5-triazine-2,4,6-trithiolate solution; Trithiocyanuric acid trisodium salt; 1,3,5-Triazine-2,4,6-trithiol trisodium salt solution; Trimercapto-s-triazine trisodium salt; 三巯基均三嗪 三钠盐; 三聚硫氰酸 三钠盐; 三聚硫氰酸三钠盐 溶液; 三嗪三硫醇 三钠盐 溶液

Database IDs

• CAS Number: 17766-26-6
• MDL Number: MFCD00066479
• PubChem SID: 162246693; 24889388
• PubChem CID: 3647359

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6395166
• LogD (pH = 7.4): -1.6395003
• Log P: -1.6395
• Molar Refractivity: 37.8759 cm^3
• Polarizability: 21.867378 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: light yellow

Safety Information

• German water hazard class: 2
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Concentration: ~15% in H2O
• Empirical Formula (Hill Notation): C3N3Na3S3

DETAILS

Sigma Aldrich - 90625

Packaging
250 mL in glass bottle