6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane

C30H32O2P2S2 — CID 134935640

IUPAC6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(OCCCCCCOP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O2P2S2/c35-33(27-17-7-3-8-18-27,28-19-9-4-10-20-28)31-25-15-1-2-16-26-32-34(36,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyJDCWUARSKLGKBL-UHFFFAOYSA-N
MW550.67 g/mol
LogP6.67
Rot. Bonds13

About 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane

6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 134935640) has the molecular formula C30H32O2P2S2 and a molecular weight of 550.67 g/mol. Its IUPAC name is 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID134935640
Molecular FormulaC30H32O2P2S2
Molecular Weight550.67 g/mol
Exact Mass550.13
IUPAC Name6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(OCCCCCCOP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O2P2S2/c35-33(27-17-7-3-8-18-27,28-19-9-4-10-20-28)31-25-15-1-2-16-26-32-34(36,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyJDCWUARSKLGKBL-UHFFFAOYSA-N
XLogP6.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 56.67
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'}

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Related Compounds

hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate
CID 21415815
butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
CID 23412949
di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
zinc;diheptoxy-phenylsulfanyl-sulfanylidene-λ5-phosphane;sulfide
CID 87462018
dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
CID 150954561
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
CID 134483895
benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 12868443
(4-nitrophenoxy)-octoxy-phenyl-sulfanylidene-λ5-phosphane
CID 71409695

Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane (CID 134935640) is 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane is S=P(OCCCCCCOP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is JDCWUARSKLGKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O2P2S2/c35-33(27-17-7-3-8-18-27,28-19-9-4-10-20-28)31-25-15-1-2-16-26-32-34(36,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2.
What are the key properties of 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane?
6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 550.67 g/mol, XLogP of 6.67, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 134935640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).