tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane

C21H21O6PS — CID 101396180

IUPACtris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
SMILESCOc1ccc(OP(=S)(Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21O6PS/c1-22-16-4-10-19(11-5-16)25-28(29,26-20-12-6-17(23-2)7-13-20)27-21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
InChIKeyYJRQUGNRQBZWDH-UHFFFAOYSA-N
MW432.43 g/mol
LogP5.47
Rot. Bonds9

About tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane

tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 101396180) has the molecular formula C21H21O6PS and a molecular weight of 432.43 g/mol. Its IUPAC name is tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID101396180
Molecular FormulaC21H21O6PS
Molecular Weight432.43 g/mol
Exact Mass432.08
IUPAC Nametris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
SMILESCOc1ccc(OP(=S)(Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21O6PS/c1-22-16-4-10-19(11-5-16)25-28(29,26-20-12-6-17(23-2)7-13-20)27-21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
InChIKeyYJRQUGNRQBZWDH-UHFFFAOYSA-N
XLogP5.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
CID 10337854
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 168863097
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
chloro bis(4-methoxyphenyl) phosphate
CID 19821181
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
CID 14641380
1-(113C)methoxy-4-methylbenzene
CID 166176950
[hydroxy-(4-methoxyphenoxy)phosphoryl]formic acid
CID 512082
N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine
CID 23274140
methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane
CID 11195989
[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane
CID 88814716

Frequently Asked Questions

What is the IUPAC name of tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane (CID 101396180) is tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane is COc1ccc(OP(=S)(Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is YJRQUGNRQBZWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O6PS/c1-22-16-4-10-19(11-5-16)25-28(29,26-20-12-6-17(23-2)7-13-20)27-21-14-8-18(24-3)9-15-21/h4-15H,1-3H3.
What are the key properties of tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane?
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 432.43 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101396180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).