Trithiazyl trichloride

Trithiazyl trichloride
Names
	Other names thionitrosyl chloride
Identifiers
CAS Number	trimer:: 5964-00-1; monomer:: 17178-58-4;
3D model (JSmol)	trimer:: Interactive image; monomer:: Interactive image;
ChemSpider	trimer:: 9271996; monomer:: 123637;
PubChem CID	trimer:: 11096854; monomer:: 140196;
CompTox Dashboard (EPA)	monomer:: DTXSID70938043;
	InChI InChI=1S/Cl3N3S3/c1-7-4-8(2)6-9(3)5-7 Key: QBQMTUMJJWPFDJ-UHFFFAOYSA-N; monomer:: InChI=1S/ClNS/c1-3-2 Key: FWVIYFTZAHMHIO-UHFFFAOYSA-N;
	SMILES trimer:: ClS1=NS(Cl)=NS(Cl)=N1; monomer:: N#SCl;
Properties
Chemical formula	Cl3N3S3
Molar mass	244.55 g·mol−1
Appearance	white solid
Melting point	168 ºC
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Trithiazyl trichloride is the inorganic compound with the formula S₃N₃Cl₃. A white solid, it is a precursor to other sulfur nitrides,^[1] but has no commercial applications.

Structure[]

The molecule has C_3v symmetry. The S₃N₃ core is slightly ruffled structure with S-N distances of 160.5 pm. The three chloride groups are attached to sulfur with S-Cl distance of 208 pm, and are mutually cis, as the S centers are pyramidal. In contrast to the NSCl connectivity, nitrosyl chloride has the connectivity ONCl.^[2]^[3]

Synthesis and reactions[]

Trithiazyl trichloride is obtained by chlorination of tetrasulfur tetranitride:

3⁄4 S₄N₄ + 3⁄2 Cl₂ → S₃N₃Cl₃

At 100 °C in vacuum, thiazyl chloride trimer undergoes cracking to thiazyl chloride monomer, which is a green gas.

S₃N₃Cl₃ → 3 NS-Cl

In NSCl, chloride is bonded to sulfur, in contrast to nitrosyl chloride with an N-Cl bond. In contrast, with six fewer electrons, cyanuric chloride is a planar ring.

It reacts with nitriles to dithiadiazolium chlorides:^[2]

RCN + 2⁄3 S₃N₃Cl₃ → [RCN₂S₂]Cl + 1⁄2 Cl₂ + 1⁄2 N₂

The compound oxidizes to the S(VI) compound S₃N₃O₃Cl₃, which exists as isomers.

References[]

^ William L. Jolly, Keith D. Maguire (1967). "Sulfur Nitrogen Chlorides". Inorg. Synth. IX: 102. doi:10.1002/9780470132401.ch27.CS1 maint: uses authors parameter (link)
^ ^a ^b Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. ISBN 978-0-08-037941-8.
^ Wiegers, G. A.; Vos, A. (1966). "The Crystal Structures of Two Sulfur-Nitrogen Compounds with (S-N)₃ Rings. II. Trithiazylchloride, (NSCl)₃, at -130 C". Acta Crystallographica. 20 (2): 192. doi:10.1107/s0365110x66000410.CS1 maint: uses authors parameter (link)

[1] William L. Jolly, Keith D. Maguire (1967). "Sulfur Nitrogen Chlorides". Inorg. Synth. IX: 102. doi:10.1002/9780470132401.ch27.CS1 maint: uses authors parameter (link)

[G&E-2] Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. ISBN 978-0-08-037941-8.

[3] Wiegers, G. A.; Vos, A. (1966). "The Crystal Structures of Two Sulfur-Nitrogen Compounds with (S-N)₃ Rings. II. Trithiazylchloride, (NSCl)₃, at -130 C". Acta Crystallographica. 20 (2): 192. doi:10.1107/s0365110x66000410.CS1 maint: uses authors parameter (link)

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