sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride

C2H10NaO3PS — CID 173428951

IUPACsodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride
SMILESCS(C)=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C2H9O3PS.Na.H/c1-7(2)6(3,4)5;;/h3-5H,1-2H3;;/q;+1;-1
InChIKeyADHRHULTAWKMOU-UHFFFAOYSA-N
MW168.13 g/mol
LogP-3.36
Rot. Bonds

About sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride

sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride (PubChem CID 173428951) has the molecular formula C2H10NaO3PS and a molecular weight of 168.13 g/mol. Its IUPAC name is sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride.

Molecular Properties

Compound Namesodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride
PubChem CID173428951
Molecular FormulaC2H10NaO3PS
Molecular Weight168.13 g/mol
Exact Mass168.00
IUPAC Namesodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride
SMILESCS(C)=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C2H9O3PS.Na.H/c1-7(2)6(3,4)5;;/h3-5H,1-2H3;;/q;+1;-1
InChIKeyADHRHULTAWKMOU-UHFFFAOYSA-N
XLogP-3.36
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 5-3.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Chloro-(dimethyl-lambda4-sulfanylidene)-dihydroxy-lambda5-phosphane
CID 56982330
(Dimethyl-lambda4-sulfanylidene)-dihydroxy-sulfanyl-lambda5-phosphane
CID 57450092
(Dimethyl-lambda4-sulfanylidene)-trihydroxy-lambda5-phosphane
CID 87233442
(Dimethyl-lambda4-sulfanylidene)-trihydroxy-lambda5-phosphane;ZINC
CID 88845450
Trihydroxy-(tetramethyl-lambda6-sulfanylidene)-lambda5-phosphane
CID 172731349
(Dimethyl-lambda4-sulfanylidene)-dihydroxyphosphanium
CID 88650750

Frequently Asked Questions

What is the IUPAC name of sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride?
The IUPAC name of sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride (CID 173428951) is sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride.
What is the SMILES notation for sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride?
The canonical SMILES for sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride is CS(C)=P(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride?
The InChIKey is ADHRHULTAWKMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9O3PS.Na.H/c1-7(2)6(3,4)5;;/h3-5H,1-2H3;;/q;+1;-1.
What are the key properties of sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride?
sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride has a molecular weight of 168.13 g/mol, XLogP of -3.36, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(dimethyl-λ4-sulfanylidene)-trihydroxy-λ5-phosphane;hydride is sourced from PubChem (CID 173428951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).