[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane

C27H27P3S2 — CID 23414367

IUPAC[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)C(P(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27P3S2/c1-29(2,31)27(28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)30(32,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3
InChIKeyQVDYTYIZEJIDQJ-UHFFFAOYSA-N
MW508.57 g/mol
LogP6.27
Rot. Bonds7

About [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane

[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 23414367) has the molecular formula C27H27P3S2 and a molecular weight of 508.57 g/mol. Its IUPAC name is [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID23414367
Molecular FormulaC27H27P3S2
Molecular Weight508.57 g/mol
Exact Mass508.08
IUPAC Name[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)C(P(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27P3S2/c1-29(2,31)27(28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)30(32,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3
InChIKeyQVDYTYIZEJIDQJ-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine
CID 23415829
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
diphenyl-(1-phenylprop-2-enyl)-sulfanylidene-λ5-phosphane
CID 71416955
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
CID 87282083
CID 50986602
CID 50986602
methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
CID 12650712
4-diphenylphosphinothioylpentan-2-one
CID 134862641
2,2-bis(diphenylphosphanyl)ethanedithioate
CID 102010379
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946

Frequently Asked Questions

What is the IUPAC name of [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 23414367) is [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane is CP(C)(=S)C(P(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is QVDYTYIZEJIDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27P3S2/c1-29(2,31)27(28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)30(32,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3.
What are the key properties of [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane?
[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 508.57 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23414367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).