Trithiocyanuric acid (TTCA) - ≥95% , CAS No.638-16-4

CAS: 638-16-4 Cat. No.: T107512 Formule: C₃H₃N₃S₃ Poids moléculaire: 177.27 Beilstein Registry Number: 26259 Numéro CE: 211-322-8

GRADE & PURITY ≥95%

Synonyms

1,3,5-triazinane-2,4,6-trithione | 2,4,6-Trimercapto-1,3,5-triazine | Q27282475 | Trimercaptocyanuric acid | Trithiocyanuric acid | FT-0652249 | 2,4,6-Trimercapto-s-triazine | Trithiocyanuric acid, 95% | SCHEMBL36504 | STK367481 | UNII-KX0WZE0QAQ | 1,3,5-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1,3,5-triazinane-2,4,6-trithione | 2,4,6-Trimercapto-1,3,5-triazine | Q27282475 | Trimercaptocyanuric acid | Trithiocyanuric acid | FT-0652249 | 2,4,6-Trimercapto-s-triazine | Trithiocyanuric acid, 95% | SCHEMBL36504 | STK367481 | UNII-KX0WZE0QAQ | 1,3,5-

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504760441

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760441

Sourires canoniques

C1(=S)NC(=S)NC(=S)N1

IUPAC Name

1,3,5-triazinane-2,4,6-trithione

InChIKey

WZRRRFSJFQTGGB-UHFFFAOYSA-N

INCHI

1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

Isomères SMILES

C1(=S)NC(=S)NC(=S)N1

WGK Allemagne

2

RTECS

XZ2830000

Poids moléculaire

177.27

Beilstein

26259

Reaxy-Rn

510160

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazines
      • Subclass Triazinethiones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazines
• Subclass: Triazinethiones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinethiones
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinethione - 1,3,5-triazine - Heteroaromatic compound - Thiourea - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazinethiones. These are compounds containing a triazine ring which bears a thioketone group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: soluble in Tetrahydrofuran,slightly sol. in Methanol, Acetone, Dioxane
• Point de fusion (°C): 300°C
• Poids moléculaire: 177.300 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.949 Da
• Monoisotopic Mass: 176.949 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1