CID 88829598

C5H10ClNaO2PS2 — CID 88829598

IUPAC—
SMILESC=C(Cl)CSP(O)(=S)OCC.[Na]
InChIInChI=1S/C5H10ClO2PS2.Na/c1-3-8-9(7,10)11-4-5(2)6;/h2-4H2,1H3,(H,7,10);
InChIKeyCGDFTRZQBXJGCF-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.34
Rot. Bonds5

About CID 88829598

CID 88829598 (PubChem CID 88829598) has the molecular formula C5H10ClNaO2PS2 and a molecular weight of 255.68 g/mol.

Molecular Properties

Compound NameCID 88829598
PubChem CID88829598
Molecular FormulaC5H10ClNaO2PS2
Molecular Weight255.68 g/mol
Exact Mass254.94
IUPAC Name—
SMILESC=C(Cl)CSP(O)(=S)OCC.[Na]
InChIInChI=1S/C5H10ClO2PS2.Na/c1-3-8-9(7,10)11-4-5(2)6;/h2-4H2,1H3,(H,7,10);
InChIKeyCGDFTRZQBXJGCF-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 88829017
CID 88829017
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane
CID 88653274
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
O-[ethylsulfanyl(hydroxy)phosphinothioyl]hydroxylamine
CID 174299103
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 118426700
1-chloro-1-diethoxyphosphorylethene
CID 11481045
CID 156593652
CID 156593652
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066

Frequently Asked Questions

What is the IUPAC name of CID 88829598?
The IUPAC name of CID 88829598 (CID 88829598) is not available.
What is the SMILES notation for CID 88829598?
The canonical SMILES for CID 88829598 is C=C(Cl)CSP(O)(=S)OCC.[Na].
What is the InChIKey of CID 88829598?
The InChIKey is CGDFTRZQBXJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO2PS2.Na/c1-3-8-9(7,10)11-4-5(2)6;/h2-4H2,1H3,(H,7,10);.
What are the key properties of CID 88829598?
CID 88829598 has a molecular weight of 255.68 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88829598 is sourced from PubChem (CID 88829598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).