diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane

C4H19O2PS6 — CID 173229302

IUPACdiethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
SMILESCCOP(=S)(S)OCC.S.S.S.S
InChIInChI=1S/C4H11O2PS2.4H2S/c1-3-5-7(8,9)6-4-2;;;;/h3-4H2,1-2H3,(H,8,9);4*1H2
InChIKeyAQGKXFMBLRDWBL-UHFFFAOYSA-N
MW322.57 g/mol
LogP2.66
Rot. Bonds4

About diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane

diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane (PubChem CID 173229302) has the molecular formula C4H19O2PS6 and a molecular weight of 322.57 g/mol. Its IUPAC name is diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane.

Molecular Properties

Compound Namediethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
PubChem CID173229302
Molecular FormulaC4H19O2PS6
Molecular Weight322.57 g/mol
Exact Mass321.94
IUPAC Namediethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
SMILESCCOP(=S)(S)OCC.S.S.S.S
InChIInChI=1S/C4H11O2PS2.4H2S/c1-3-5-7(8,9)6-4-2;;;;/h3-4H2,1-2H3,(H,8,9);4*1H2
InChIKeyAQGKXFMBLRDWBL-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 52.66
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

CID 156593652
CID 156593652
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
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
CID 158562006
CID 158562006
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763

Frequently Asked Questions

What is the IUPAC name of diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
The IUPAC name of diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane (CID 173229302) is diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane.
What is the SMILES notation for diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
The canonical SMILES for diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane is CCOP(=S)(S)OCC.S.S.S.S.
What is the InChIKey of diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
The InChIKey is AQGKXFMBLRDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS2.4H2S/c1-3-5-7(8,9)6-4-2;;;;/h3-4H2,1-2H3,(H,8,9);4*1H2.
What are the key properties of diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane has a molecular weight of 322.57 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane is sourced from PubChem (CID 173229302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).