hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane

C14H30O2PS2- — CID 168851280

IUPAChexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCCCCCOP(=S)([S-])OCCCCCC
InChIInChI=1S/C14H31O2PS2/c1-3-5-7-9-10-12-14-16-17(18,19)15-13-11-8-6-4-2/h3-14H2,1-2H3,(H,18,19)/p-1
InChIKeyOTZMFLROCXDTQY-UHFFFAOYSA-M
MW325.50 g/mol
LogP5.73
Rot. Bonds14

About hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane

hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 168851280) has the molecular formula C14H30O2PS2- and a molecular weight of 325.50 g/mol. Its IUPAC name is hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namehexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
PubChem CID168851280
Molecular FormulaC14H30O2PS2-
Molecular Weight325.50 g/mol
Exact Mass325.14
IUPAC Namehexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCCCCCOP(=S)([S-])OCCCCCC
InChIInChI=1S/C14H31O2PS2/c1-3-5-7-9-10-12-14-16-17(18,19)15-13-11-8-6-4-2/h3-14H2,1-2H3,(H,18,19)/p-1
InChIKeyOTZMFLROCXDTQY-UHFFFAOYSA-M
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
CID 174201845
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)
CID 22360040
hexakis(didecoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173026472
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788

Frequently Asked Questions

What is the IUPAC name of hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane (CID 168851280) is hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane is CCCCCCCCOP(=S)([S-])OCCCCCC.
What is the InChIKey of hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is OTZMFLROCXDTQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H31O2PS2/c1-3-5-7-9-10-12-14-16-17(18,19)15-13-11-8-6-4-2/h3-14H2,1-2H3,(H,18,19)/p-1.
What are the key properties of hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane?
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 325.50 g/mol, XLogP of 5.73, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 168851280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).