Completing data — usually done within a minute
Basic information
- Standard SMILES
S=c1[nH]c(=S)[nH]c(=S)[nH]1- InChIKey
WZRRRFSJFQTGGB-UHFFFAOYSA-N- Molecular formula
- C3H3N3S3
- Average molar mass
- 177.279 g/mol
- Monoisotopic mass
- 176.9489101
Names & identifiers
- Preferred name
- Trithiocyanuric acid
- IUPAC
- 1,3,5-Triazinane-2,4,6-trithione
- English name
- Trithiocyanuric acid
- Molecular formula
- C3H3N3S3
- Molecular weight
- 177.27
Names & synonyms
TMT2,4,6-trimercapto-s-triazineTrimercaptotriazine1,3,5-TRIAZINE-2,4,6-TRITHIOLTHIOCYANURIC ACID1,3,5-triazinane-2,4,6-trithioneTCY-70TMTN-2usafth-3ACTOR-TMt
Database identifiers
- CAS
638-16-4- PubChem CID
- 1268121
- DTXSID
DTXSID3045067- ChEMBL
CHEMBL1688953、CHEMBL3306346- UNII
- KX0WZE0QAQ
- EC Number
- 211-322-8
- Nikkaji
- J9.452H
Properties
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Boiling point
- 242.5 · 242.5±23.0 °C(Predicted)
- Density
- 1.589 · 1.589 (estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Amorphous Powder
- pka
- 6.35 · 6.35±0.20(Predicted)
- color
- Yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
- InChIKey
- WZRRRFSJFQTGGB-UHFFFAOYSA-N
- SMILES
- N1C(=S)NC(=S)NC1=S
- LogP
- 0.73 at · 0.73 at 25℃
- CAS DataBase Reference
- 638 · 638-16-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 WZE0QAQ · KX0WZE0QAQ
- EPA Substance Registry System
- 1 · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trithione (638-16-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-36-26
- WGK Germany
- 2 · 2
- RTECS
- 2830000 · XZ2830000
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29309090 · 29309090
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XZ2830000
- hs_code
- 29309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usescrosslinking agnt forAR.ECO.CR
UsesReaction of BunLi with trithiocyanuric acid (LH3) in toluene/HMPA yielded a mono-lithiated species, [(LH2Li)·HMPA2]. Metal complexes of trithiocyanuric acid is used for the elucidation of coordination polymer stoichiometry via thermometric titrimetry:.
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Related reactions
2 records
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