hexoxy-octoxy-bis(sulfanyl)phosphanium

C14H32O2PS2+ — CID 166989108

IUPAChexoxy-octoxy-bis(sulfanyl)phosphanium
SMILESCCCCCCCCO[P+](S)(S)OCCCCCC
InChIInChI=1S/C14H32O2PS2/c1-3-5-7-9-10-12-14-16-17(18,19)15-13-11-8-6-4-2/h18-19H,3-14H2,1-2H3/q+1
InChIKeyRBWZPUMDIITDGT-UHFFFAOYSA-N
MW327.52 g/mol
LogP6.50
Rot. Bonds14

About hexoxy-octoxy-bis(sulfanyl)phosphanium

hexoxy-octoxy-bis(sulfanyl)phosphanium (PubChem CID 166989108) has the molecular formula C14H32O2PS2+ and a molecular weight of 327.52 g/mol. Its IUPAC name is hexoxy-octoxy-bis(sulfanyl)phosphanium.

Molecular Properties

Compound Namehexoxy-octoxy-bis(sulfanyl)phosphanium
PubChem CID166989108
Molecular FormulaC14H32O2PS2+
Molecular Weight327.52 g/mol
Exact Mass327.16
IUPAC Namehexoxy-octoxy-bis(sulfanyl)phosphanium
SMILESCCCCCCCCO[P+](S)(S)OCCCCCC
InChIInChI=1S/C14H32O2PS2/c1-3-5-7-9-10-12-14-16-17(18,19)15-13-11-8-6-4-2/h18-19H,3-14H2,1-2H3/q+1
InChIKeyRBWZPUMDIITDGT-UHFFFAOYSA-N
XLogP6.50
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 56.50
H-Bond Donors ≤ 52
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_2', 'substructure': 'N/A'}

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Related Compounds

1-pentan-3-yloxydecane
CID 173279604
1-pentoxyethanethiol
CID 173039509
di(icosoxy)-disulfidophosphanium
CID 136913649
tri(tridecoxy)-tridecylphosphanium
CID 175336508
1-(difluoromethoxy)decane
CID 14400535
ethyl-hexoxy-dihydroxyphosphanium
CID 170563061
2-hexadecoxy-1-sulfanylnonadecan-1-ol
CID 21264645
2-dodecoxy-1-sulfanyltridecan-1-ol
CID 21264637
decane;ruthenium
CID 160818595
octyl 2-sulfanyldecanoate;stannane
CID 173438957
1-sulfanyloxyoctane
CID 131981999
octoxymethanediamine
CID 142625053

Frequently Asked Questions

What is the IUPAC name of hexoxy-octoxy-bis(sulfanyl)phosphanium?
The IUPAC name of hexoxy-octoxy-bis(sulfanyl)phosphanium (CID 166989108) is hexoxy-octoxy-bis(sulfanyl)phosphanium.
What is the SMILES notation for hexoxy-octoxy-bis(sulfanyl)phosphanium?
The canonical SMILES for hexoxy-octoxy-bis(sulfanyl)phosphanium is CCCCCCCCO[P+](S)(S)OCCCCCC.
What is the InChIKey of hexoxy-octoxy-bis(sulfanyl)phosphanium?
The InChIKey is RBWZPUMDIITDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2PS2/c1-3-5-7-9-10-12-14-16-17(18,19)15-13-11-8-6-4-2/h18-19H,3-14H2,1-2H3/q+1.
What are the key properties of hexoxy-octoxy-bis(sulfanyl)phosphanium?
hexoxy-octoxy-bis(sulfanyl)phosphanium has a molecular weight of 327.52 g/mol, XLogP of 6.50, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-octoxy-bis(sulfanyl)phosphanium is sourced from PubChem (CID 166989108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).