sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C2H13NaO6P2S2 — CID 173048196

IUPACsodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.OP(O)(O)=S.OP(O)(O)=S.[H-].[Na+]
InChIInChI=1S/C2H6.Na.2H3O3PS.H/c1-2;;2*1-4(2,3)5;/h1-2H3;;2*(H3,1,2,3,5);/q;+1;;;-1
InChIKeyFTOJPHGUDOLPPP-UHFFFAOYSA-N
MW282.19 g/mol
LogP-3.48
Rot. Bonds

About sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173048196) has the molecular formula C2H13NaO6P2S2 and a molecular weight of 282.19 g/mol. Its IUPAC name is sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namesodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173048196
Molecular FormulaC2H13NaO6P2S2
Molecular Weight282.19 g/mol
Exact Mass281.95
IUPAC Namesodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.OP(O)(O)=S.OP(O)(O)=S.[H-].[Na+]
InChIInChI=1S/C2H6.Na.2H3O3PS.H/c1-2;;2*1-4(2,3)5;/h1-2H3;;2*(H3,1,2,3,5);/q;+1;;;-1
InChIKeyFTOJPHGUDOLPPP-UHFFFAOYSA-N
XLogP-3.48
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.19
LogP ≤ 5-3.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;pentakis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175387653
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
magnesium;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174644502
lithium;hydride;trihydroxy(sulfanylidene)-λ5-phosphane;hydrochloride
CID 175073522
CID 173186715
CID 173186715
CID 173075577
CID 173075577
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174914506
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
molybdenum;rhenium;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174835711
azanide;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174724597

Frequently Asked Questions

What is the IUPAC name of sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173048196) is sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CC.OP(O)(O)=S.OP(O)(O)=S.[H-].[Na+].
What is the InChIKey of sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is FTOJPHGUDOLPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.Na.2H3O3PS.H/c1-2;;2*1-4(2,3)5;/h1-2H3;;2*(H3,1,2,3,5);/q;+1;;;-1.
What are the key properties of sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 282.19 g/mol, XLogP of -3.48, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173048196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).