(3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane

C30H23IO2P2S2 — CID 139081870

IUPAC(3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(Oc1cccc(OP(=S)(c2ccccc2)c2ccccc2)c1I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23IO2P2S2/c31-30-28(32-34(36,24-14-5-1-6-15-24)25-16-7-2-8-17-25)22-13-23-29(30)33-35(37,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
InChIKeyLZECTGCQDGRKCX-UHFFFAOYSA-N
MW668.50 g/mol
LogP7.14
Rot. Bonds8

About (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane

(3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 139081870) has the molecular formula C30H23IO2P2S2 and a molecular weight of 668.50 g/mol. Its IUPAC name is (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID139081870
Molecular FormulaC30H23IO2P2S2
Molecular Weight668.50 g/mol
Exact Mass667.97
IUPAC Name(3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(Oc1cccc(OP(=S)(c2ccccc2)c2ccccc2)c1I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23IO2P2S2/c31-30-28(32-34(36,24-14-5-1-6-15-24)25-16-7-2-8-17-25)22-13-23-29(30)33-35(37,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
InChIKeyLZECTGCQDGRKCX-UHFFFAOYSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.50
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane (CID 139081870) is (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane is S=P(Oc1cccc(OP(=S)(c2ccccc2)c2ccccc2)c1I)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is LZECTGCQDGRKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23IO2P2S2/c31-30-28(32-34(36,24-14-5-1-6-15-24)25-16-7-2-8-17-25)22-13-23-29(30)33-35(37,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H.
What are the key properties of (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane?
(3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 668.50 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphinothioyloxy-2-iodophenoxy)-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 139081870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).