CID 156594251

C8H19NaO2PS2 — CID 156594251

IUPAC—
SMILESCCCCOP(=S)(S)OCCCC.[Na]
InChIInChI=1S/C8H19O2PS2.Na/c1-3-5-7-9-11(12,13)10-8-6-4-2;/h3-8H2,1-2H3,(H,12,13);
InChIKeyMLKSZUQMCICGJI-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.39
Rot. Bonds8

About CID 156594251

CID 156594251 (PubChem CID 156594251) has the molecular formula C8H19NaO2PS2 and a molecular weight of 265.34 g/mol.

Molecular Properties

Compound NameCID 156594251
PubChem CID156594251
Molecular FormulaC8H19NaO2PS2
Molecular Weight265.34 g/mol
Exact Mass265.05
IUPAC Name—
SMILESCCCCOP(=S)(S)OCCCC.[Na]
InChIInChI=1S/C8H19O2PS2.Na/c1-3-5-7-9-11(12,13)10-8-6-4-2;/h3-8H2,1-2H3,(H,12,13);
InChIKeyMLKSZUQMCICGJI-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
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barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
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dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
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dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
CID 156593652
CID 156593652
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
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Frequently Asked Questions

What is the IUPAC name of CID 156594251?
The IUPAC name of CID 156594251 (CID 156594251) is not available.
What is the SMILES notation for CID 156594251?
The canonical SMILES for CID 156594251 is CCCCOP(=S)(S)OCCCC.[Na].
What is the InChIKey of CID 156594251?
The InChIKey is MLKSZUQMCICGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2PS2.Na/c1-3-5-7-9-11(12,13)10-8-6-4-2;/h3-8H2,1-2H3,(H,12,13);.
What are the key properties of CID 156594251?
CID 156594251 has a molecular weight of 265.34 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156594251 is sourced from PubChem (CID 156594251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).