bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane

C13H11Cl2O3PS — CID 10337854

IUPACbis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2O3PS/c1-16-19(20,17-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyZXMQOTPKMBKZJJ-UHFFFAOYSA-N
MW349.18 g/mol
LogP5.32
Rot. Bonds5

About bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane

bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane (PubChem CID 10337854) has the molecular formula C13H11Cl2O3PS and a molecular weight of 349.18 g/mol. Its IUPAC name is bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
PubChem CID10337854
Molecular FormulaC13H11Cl2O3PS
Molecular Weight349.18 g/mol
Exact Mass347.95
IUPAC Namebis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2O3PS/c1-16-19(20,17-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyZXMQOTPKMBKZJJ-UHFFFAOYSA-N
XLogP5.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.18
LogP ≤ 55.32
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)phosphinothioyl hypochlorite
CID 87901366
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
CID 23525793
(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 172842518
N-[chloro-(4-chlorophenoxy)phosphoryl]methanamine
CID 143327025
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
[(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane
CID 23274453
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
(4-chlorophenyl) acetate
CID 13410
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane (CID 10337854) is bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane is COP(=S)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane?
The InChIKey is ZXMQOTPKMBKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2O3PS/c1-16-19(20,17-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9H,1H3.
What are the key properties of bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane?
bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane has a molecular weight of 349.18 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 10337854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).