chempirical

Trithiocyanuric acid

C3H3N3S3CAS 638-16-4177.26 g/mol

Open in Covalent MOL file
SHNSHNHSN
Thiol

Properties

Molecular formula
C3H3N3S3
Molar mass
177.26 g/mol
Exact mass
176.9489 Da
Density
1.35 g/mL (at 20 °C)
Melting point
above 300 °C
logP
0.74Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
0

Identifiers

CAS number
638-16-4
SMILES
Sc1nc(S)nc(S)n1
InChIKey
WZRRRFSJFQTGGB-UHFFFAOYSA-N
InChI
InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

38 names · show all
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trithione
  • s-Triazine-2,4,6-trithiol
  • s-Triazine-2,4,6(1H,3H,5H)-trithione
  • Cyanuric acid, trithio-
  • 2,4,6-Trimercapto-s-triazine
  • Thiocyanuric acid
  • 2,4,6-Triazinetrithiol
  • 1,3,5-Trimercaptotriazine
  • Trimercaptocyanuric acid
  • 2,4,6-Trimercapto-1,3,5-triazine
  • s-Triazinetrithiol
  • 1,3,5-Triazine-2,4,6-trithiol
  • Zisnet F
  • OF 100
  • TCY-MBA
  • Trimercapto-s-triazine
  • 2,4,6-Trithiol-1,3,5-triazine
  • 2,4,6-Trithio-5-azauracil
  • 1,3,5-Triazine-2,4,6-trithione
  • Trimercaptotriazine
  • Zisnet FPT
  • Zeonet A
  • TCY
  • Nocceler TCA
  • 2,4,6-Trimercaptotriazine
  • NSC 62071
  • NSC 65480
  • Rhenogran triazine TM 70ECO
  • TM 70ECO
  • Actor TSH
  • Rhenogran triazine TM 70AEMD
  • Taicros TMT
  • Tatcross TMT
  • TSH
  • Curekind TCY
  • TMT
  • 1,3,5-Triazinane-2,4,6-trithione
  • Zisnet F-ET

Work with Trithiocyanuric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,6-Dimethyl-2-mercaptopyrimidine22325-27-544 % similar 4,5-Diamino-2,6-dimercaptopyrimidine31295-41-736 % similar 2-Mercaptopyrimidine1450-85-735 % similar 2,4-Dithiouracil2001-93-635 % similar 6-Amino-2-thiouracil1004-40-633 % similar 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine1004-76-833 % similar Methylthiouracil56-04-233 % similar 2-Mercapto-4(3H)-quinazolinone13906-09-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook