Trithiocyanuricacidtrisodiumsalt

CAT: 0127-OR1065412-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1065412-01Size:100 g

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CAS Number

17766-26-6

MDL Number

MFCD00066479

Purity

98% (hydrate)

Smiles

[S-]C1=NC([S-])=NC([S-])=N1.[Na+].[Na+].[Na+]

Chemical Information

Sodium trithiocyanurate

CAS Number	17766-26-6
PubChem CID	6099917
IUPAC Name	trisodium;1,3,5-triazine-2,4,6-trithiolate
Molecular Formula	C3N3Na3S3
Molecular Weight	243.2
Topological Polar Surface Area	41.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	69

SMILES

C1(=NC(=NC(=N1)[S-])[S-])[S-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C3H3N3S3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3

InChIKey

NYVOYAFUSJONHU-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 17766-26-6

CID: 6099917

Formula: C3N3Na3S3

MW: 243.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	242.89474338
Monoisotopic Mass	242.89474338
Topological Polar Surface Area	41.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	69.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes