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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