bis(4-methylphenoxy)phosphinothioylsulfanylthallium

C14H14O2PS2Tl — CID 609596

IUPACbis(4-methylphenoxy)phosphinothioylsulfanylthallium
SMILESCc1ccc(OP(=S)(Oc2ccc(C)cc2)S[Tl])cc1
InChIInChI=1S/C14H15O2PS2.Tl/c1-11-3-7-13(8-4-11)15-17(18,19)16-14-9-5-12(2)6-10-14;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyTYYDRMOGJLADEN-UHFFFAOYSA-M
MW513.76 g/mol
LogP4.80
Rot. Bonds5

About bis(4-methylphenoxy)phosphinothioylsulfanylthallium

bis(4-methylphenoxy)phosphinothioylsulfanylthallium (PubChem CID 609596) has the molecular formula C14H14O2PS2Tl and a molecular weight of 513.76 g/mol. Its IUPAC name is bis(4-methylphenoxy)phosphinothioylsulfanylthallium.

Molecular Properties

Compound Namebis(4-methylphenoxy)phosphinothioylsulfanylthallium
PubChem CID609596
Molecular FormulaC14H14O2PS2Tl
Molecular Weight513.76 g/mol
Exact Mass513.99
IUPAC Namebis(4-methylphenoxy)phosphinothioylsulfanylthallium
SMILESCc1ccc(OP(=S)(Oc2ccc(C)cc2)S[Tl])cc1
InChIInChI=1S/C14H15O2PS2.Tl/c1-11-3-7-13(8-4-11)15-17(18,19)16-14-9-5-12(2)6-10-14;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyTYYDRMOGJLADEN-UHFFFAOYSA-M
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.76
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(bis(4-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 18762380
4-bis(4-methylphenoxy)phosphinothioylsulfanylbenzaldehyde
CID 132564137
hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174646420
chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
CID 11980274
neodymium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
CID 11980278
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane
CID 58890302
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenoxy)phosphinothioylsulfanylthallium?
The IUPAC name of bis(4-methylphenoxy)phosphinothioylsulfanylthallium (CID 609596) is bis(4-methylphenoxy)phosphinothioylsulfanylthallium.
What is the SMILES notation for bis(4-methylphenoxy)phosphinothioylsulfanylthallium?
The canonical SMILES for bis(4-methylphenoxy)phosphinothioylsulfanylthallium is Cc1ccc(OP(=S)(Oc2ccc(C)cc2)S[Tl])cc1.
What is the InChIKey of bis(4-methylphenoxy)phosphinothioylsulfanylthallium?
The InChIKey is TYYDRMOGJLADEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15O2PS2.Tl/c1-11-3-7-13(8-4-11)15-17(18,19)16-14-9-5-12(2)6-10-14;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1.
What are the key properties of bis(4-methylphenoxy)phosphinothioylsulfanylthallium?
bis(4-methylphenoxy)phosphinothioylsulfanylthallium has a molecular weight of 513.76 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenoxy)phosphinothioylsulfanylthallium is sourced from PubChem (CID 609596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).