Trithiocyanuric acid - CAS 638-16-4

Catalog:	BB032290
Product Name:	Trithiocyanuric acid
CAS:	638-16-4
Synonyms:	1,3,5-triazinane-2,4,6-trithione

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1,3,5-triazinane-2,4,6-trithione
Description:	Trithiocyanuric acid (CAS# 638-16-4) is a useful research chemical.
Molecular Weight:	177.27
Molecular Formula:	C3H3N3S3
Canonical SMILES:	C1(=S)NC(=S)NC(=S)N1
InChI:	InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChI Key:	WZRRRFSJFQTGGB-UHFFFAOYSA-N
Boiling Point:	242.5 °C at 760 mmHg
Purity:	98 %
Density:	1.78 g/cm³
Appearance:	Yellow amorphous powder
MDL:	MFCD00006052
LogP:	0.73770

Publication Number	Title	Priority Date
WO-2015192231-A1	Lithographic printing plates precursors comprising a radiation sensitive imageable layer with a crosslinked surface	20140620
EP-2957591-A1	Remediation of yellowing in a coating formulation containing a sorbate ester or a sorbamide coalescent	20140616
WO-2015177423-A1	Electrical cable including a crosslinked layer	20140520
WO-2015162456-A1	Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors	20140424
WO-2015162459-A1	Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors	20140424

PMID	Publication Date	Title	Journal
22311622	20120501	Molecular recognition of hydrocarbon guests by a supramolecular capsule formed by the 4:4 self-assembly of tris(Zn(2+)-cyclen) and trithiocyanurate in aqueous solution	Chemistry, an Asian journal
22744703	20120101	Compound stabilization/solidification of MSWI fly ash with trimercapto-s-triazine and cement	Water science and technology : a journal of the International Association on Water Pollution Research
22064758	20110901	Triethyl-ammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide	Acta crystallographica. Section E, Structure reports online
21522753	20101208	Tris(methylammonium thiocyanurate) monohydrate	Acta crystallographica. Section E, Structure reports online
21588990	20101013	Tripropyl-ammonium trithio-cyanurate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[874-87-3]
4-(Methylthio)benzyl chloride
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Triazines

[1919-48-8]
2,4,6-Triphenoxy-1,3,5-triazine
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[4956-05-2]
6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione
[35045-02-4]
Metribuzin-desamino
[1861769-64-3]
N-[2-(Benzyloxy)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
[3397-62-4]
Desalkylterbuthylazine

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.94891063
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	176.94891063
Rotatable Bond Count:	0
Topological Polar Surface Area:	132 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6