CID 156593652

C4H11NaO2PS2 — CID 156593652

IUPAC—
SMILESCCOP(=S)(S)OCC.[Na]
InChIInChI=1S/C4H11O2PS2.Na/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);
InChIKeyMSXGQMLWJUMPOJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.83
Rot. Bonds4

About CID 156593652

CID 156593652 (PubChem CID 156593652) has the molecular formula C4H11NaO2PS2 and a molecular weight of 209.23 g/mol.

Molecular Properties

Compound NameCID 156593652
PubChem CID156593652
Molecular FormulaC4H11NaO2PS2
Molecular Weight209.23 g/mol
Exact Mass208.98
IUPAC Name—
SMILESCCOP(=S)(S)OCC.[Na]
InChIInChI=1S/C4H11O2PS2.Na/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);
InChIKeyMSXGQMLWJUMPOJ-UHFFFAOYSA-N
XLogP1.83
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
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dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
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CID 156594251
CID 156594251
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
CID 158562006
CID 158562006
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 23331140
bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 57053106
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785

Frequently Asked Questions

What is the IUPAC name of CID 156593652?
The IUPAC name of CID 156593652 (CID 156593652) is not available.
What is the SMILES notation for CID 156593652?
The canonical SMILES for CID 156593652 is CCOP(=S)(S)OCC.[Na].
What is the InChIKey of CID 156593652?
The InChIKey is MSXGQMLWJUMPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS2.Na/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);.
What are the key properties of CID 156593652?
CID 156593652 has a molecular weight of 209.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156593652 is sourced from PubChem (CID 156593652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).