diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone

C22H32O7P2S2 — CID 88633467

IUPACdiethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone
SMILESCCOP(=S)(OCC)OP(=S)(OCC)OCC.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C8H20O5P2S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h1-10,13,15H;5-8H2,1-4H3
InChIKeyYMDBCPJHTAEXQU-UHFFFAOYSA-N
MW534.57 g/mol
LogP6.20
Rot. Bonds13

About diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone

diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone (PubChem CID 88633467) has the molecular formula C22H32O7P2S2 and a molecular weight of 534.57 g/mol. Its IUPAC name is diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Namediethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone
PubChem CID88633467
Molecular FormulaC22H32O7P2S2
Molecular Weight534.57 g/mol
Exact Mass534.11
IUPAC Namediethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone
SMILESCCOP(=S)(OCC)OP(=S)(OCC)OCC.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C8H20O5P2S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h1-10,13,15H;5-8H2,1-4H3
InChIKeyYMDBCPJHTAEXQU-UHFFFAOYSA-N
XLogP6.20
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.57
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
ethoxymethanol;2-hydroxy-1,2-diphenylethanone
CID 69429454
2-hydroxy-1,2-diphenylethanone
CID 159399559
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane
CID 174800986
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-diethoxyphosphinothioylsulfanyl-1-phenylpropan-1-one
CID 14740095

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone?
The IUPAC name of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone (CID 88633467) is diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone is CCOP(=S)(OCC)OP(=S)(OCC)OCC.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone?
The InChIKey is YMDBCPJHTAEXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C8H20O5P2S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h1-10,13,15H;5-8H2,1-4H3.
What are the key properties of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone?
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone has a molecular weight of 534.57 g/mol, XLogP of 6.20, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 88633467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).