(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane

C30H24OP2S2 — CID 102296827

IUPAC(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(Oc1cccc(P(=S)(c2ccccc2)c2ccccc2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24OP2S2/c34-32(26-15-5-1-6-16-26,27-17-7-2-8-18-27)30-23-13-14-25(24-30)31-33(35,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H
InChIKeyDPACWISHZHBQSV-UHFFFAOYSA-N
MW526.60 g/mol
LogP5.87
Rot. Bonds7

About (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane

(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 102296827) has the molecular formula C30H24OP2S2 and a molecular weight of 526.60 g/mol. Its IUPAC name is (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID102296827
Molecular FormulaC30H24OP2S2
Molecular Weight526.60 g/mol
Exact Mass526.07
IUPAC Name(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(Oc1cccc(P(=S)(c2ccccc2)c2ccccc2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24OP2S2/c34-32(26-15-5-1-6-16-26,27-17-7-2-8-18-27)30-23-13-14-25(24-30)31-33(35,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H
InChIKeyDPACWISHZHBQSV-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine
CID 102296825
phenoxy-phenyl-silyl-sulfanylidene-λ5-phosphane
CID 174962173
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431
bis(3-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
CID 57106776
1-(3-diphenylphosphinothioylphenyl)-N-phenylmethanimine
CID 102455075
dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 126501807
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
diphenoxy-sulfanylidene-sulfido-λ5-phosphane
CID 3553797
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383
benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 12868443
6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935640

Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane (CID 102296827) is (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane is S=P(Oc1cccc(P(=S)(c2ccccc2)c2ccccc2)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is DPACWISHZHBQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OP2S2/c34-32(26-15-5-1-6-16-26,27-17-7-2-8-18-27)30-23-13-14-25(24-30)31-33(35,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H.
What are the key properties of (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane?
(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 526.60 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102296827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).