bis(4-chlorophenoxy)phosphinothioyl hypochlorite

C12H8Cl3O3PS — CID 87901366

IUPACbis(4-chlorophenoxy)phosphinothioyl hypochlorite
SMILESS=P(OCl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl3O3PS/c13-9-1-5-11(6-2-9)16-19(20,18-15)17-12-7-3-10(14)4-8-12/h1-8H
InChIKeyLQNUAJWKIGWSNQ-UHFFFAOYSA-N
MW369.59 g/mol
LogP5.85
Rot. Bonds5

About bis(4-chlorophenoxy)phosphinothioyl hypochlorite

bis(4-chlorophenoxy)phosphinothioyl hypochlorite (PubChem CID 87901366) has the molecular formula C12H8Cl3O3PS and a molecular weight of 369.59 g/mol. Its IUPAC name is bis(4-chlorophenoxy)phosphinothioyl hypochlorite.

Molecular Properties

Compound Namebis(4-chlorophenoxy)phosphinothioyl hypochlorite
PubChem CID87901366
Molecular FormulaC12H8Cl3O3PS
Molecular Weight369.59 g/mol
Exact Mass367.90
IUPAC Namebis(4-chlorophenoxy)phosphinothioyl hypochlorite
SMILESS=P(OCl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl3O3PS/c13-9-1-5-11(6-2-9)16-19(20,18-15)17-12-7-3-10(14)4-8-12/h1-8H
InChIKeyLQNUAJWKIGWSNQ-UHFFFAOYSA-N
XLogP5.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 55.85
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

bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
CID 10337854
(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 172842518
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-[chloro-(4-chlorophenoxy)phosphoryl]methanamine
CID 143327025
(4-chlorophenyl) phenyl phosphate
CID 71363636
bis(4-chlorophenoxy)methanimine
CID 15716338
1,4-bis(diaminophosphinothioyloxy)benzene
CID 54536312
disodium;[(4-chlorophenoxy)-hydroxyphosphoryl]formic acid;hydride
CID 173417372
azane;1,4-dichlorobenzene
CID 69330361
[[(4-chlorophenoxy)-ethylphosphinothioyl]-propan-2-ylamino] thiohypobromite
CID 54418588
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
O-(4-chlorophenyl) 2-chloro-2-oxoethanethioate
CID 168864372

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenoxy)phosphinothioyl hypochlorite?
The IUPAC name of bis(4-chlorophenoxy)phosphinothioyl hypochlorite (CID 87901366) is bis(4-chlorophenoxy)phosphinothioyl hypochlorite.
What is the SMILES notation for bis(4-chlorophenoxy)phosphinothioyl hypochlorite?
The canonical SMILES for bis(4-chlorophenoxy)phosphinothioyl hypochlorite is S=P(OCl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenoxy)phosphinothioyl hypochlorite?
The InChIKey is LQNUAJWKIGWSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3O3PS/c13-9-1-5-11(6-2-9)16-19(20,18-15)17-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of bis(4-chlorophenoxy)phosphinothioyl hypochlorite?
bis(4-chlorophenoxy)phosphinothioyl hypochlorite has a molecular weight of 369.59 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenoxy)phosphinothioyl hypochlorite is sourced from PubChem (CID 87901366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).