PIS

TRIHYDROGEN THIODIPHOSPHATE

Created:	2004-06-29
Last modified:	2021-03-01

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9 entries where PIS is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	12
Chiral Atom Count	1
Bond Count	11
Aromatic Bond Count	0

2D diagram of PIS

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Chemical Component Summary
Name	TRIHYDROGEN THIODIPHOSPHATE
Synonyms	THIOPYROPHOSPHATE
Systematic Name (OpenEye OEToolkits)	phosphonooxy-sulfido-phosphinic acid
Formula	H₃ O₆ P₂ S
Molecular Weight	193.033
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[S-]P(=O)(O)OP(=O)(O)O
SMILES	CACTVS	3.341	O[P](O)(=O)O[P](O)([S-])=O
SMILES	OpenEye OEToolkits	1.5.0	OP(=O)(O)OP(=O)(O)[S-]
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)O[P@](O)([S-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	OP(=O)(O)O[P@](=O)(O)[S-]
InChI	InChI	1.03	InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1
InChIKey	InChI	1.03	HWTUHTNZLQJJEV-UHFFFAOYSA-M

Drug Info: DrugBank

DrugBank ID	DB02423 ?
Name	Thiopyrophosphate
Groups	experimental
Synonyms	Thiopyrophosphate Trihydrogen thiodiphosphate
Categories	Acids Acids, Noncarboxylic Anions Electrolytes Ions Phosphate salts Phosphoric Acids Phosphorus Acids Phosphorus Compounds Polyphosphates
CAS number	68488-87-9

Related Resource References

Resource Name	Reference
PubChem	5289158

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