chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane

C9H12ClO3PS2 — CID 54006175

IUPACchloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C9H12ClO3PS2/c1-3-12-14(10,15)13-8-4-6-9(7-5-8)16(2)11/h4-7H,3H2,1-2H3
InChIKeyKPAMDPGWBDHKNO-UHFFFAOYSA-N
MW298.75 g/mol
LogP3.30
Rot. Bonds5

About chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane

chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 54006175) has the molecular formula C9H12ClO3PS2 and a molecular weight of 298.75 g/mol. Its IUPAC name is chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID54006175
Molecular FormulaC9H12ClO3PS2
Molecular Weight298.75 g/mol
Exact Mass297.97
IUPAC Namechloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C9H12ClO3PS2/c1-3-12-14(10,15)13-8-4-6-9(7-5-8)16(2)11/h4-7H,3H2,1-2H3
InChIKeyKPAMDPGWBDHKNO-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 53.30
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

chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 54252513
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
ethane;1-[(2R)-2-methylbutoxy]-4-methylsulfinylbenzene
CID 143417724
1-dodecoxy-4-[(S)-methylsulfinyl]benzene
CID 98141576
1-(difluoromethoxy)-4-methylsulfinylbenzene;hydrate
CID 156822834
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664
1-(4-chlorophenyl)sulfinyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 12941004
4-diethoxyphosphinothioyloxybenzoic acid
CID 91003120
bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 11327235
1-(4-iodophenoxy)-4-methylsulfinylbenzene
CID 118066659

Frequently Asked Questions

What is the IUPAC name of chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane (CID 54006175) is chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane is CCOP(=S)(Cl)Oc1ccc(S(C)=O)cc1.
What is the InChIKey of chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is KPAMDPGWBDHKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClO3PS2/c1-3-12-14(10,15)13-8-4-6-9(7-5-8)16(2)11/h4-7H,3H2,1-2H3.
What are the key properties of chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane?
chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 298.75 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54006175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).