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Basic Information
CAS No.: 25070-46-6
Name: Phosphorus sulfide
Article Data: 12
Molecular Structure:
Molecular Structure of 25070-46-6 (Phosphorus sulfide)
Formula: P4S9
Molecular Weight: 412.489
Synonyms: 2,4,6,8,9,10-Hexathia-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane, 1,3,7-trisulfide (9CI);Phosphorus sulfide (P4S9)(8CI);Tetraphosphorus nonasulfide;a-Phosphorus sulfide (P4S9);
PSA: 291.09000
LogP: 9.27860
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Specification

The 2,4,6,8,9,10-Hexathia-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane, 1,3,5-trisulfide, with the CAS registry number 25070-46-6, is also known as Tetraphosphorus nonasulfide. This chemical's molecular formula is P4S9 and molecular weight is 412.48. Its systematic name is called tricyclo[3.3.1.1~3,7~]tetraphosphathiane 1,3,5-trisulfide.

Physical properties of 2,4,6,8,9,10-Hexathia-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane, 1,3,5-trisulfide: (1)XLogP3-AA: 5.7; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 0; (4)Rotatable Bond Count: 0; (5)Exact Mass: 411.643682; (6)MonoIsotopic Mass: 411.643682; (7)Topological Polar Surface Area: 248; (8)Heavy Atom Count: 13; (9)Formal Charge: 0; (10)Complexity: 320; (11)Undefined Bond StereoCenter Count: 0; (12)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3
(2)InChI: InChI=1S/P4S9/c5-2-8-1-9-3(6,11-2)13-4(7,10-1)12-2
(3)InChIKey: VFWRPFQSIRTMSW-UHFFFAOYSA-N