(3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane

C10H14Cl2NO3PS2 — CID 90696926

IUPAC(3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1nc(SC)c(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2NO3PS2/c1-4-14-17(18,15-5-2)16-9-7(11)6-8(12)10(13-9)19-3/h6H,4-5H2,1-3H3
InChIKeyFKMGMQGCFAFESS-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.79
Rot. Bonds7

About (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane

(3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 90696926) has the molecular formula C10H14Cl2NO3PS2 and a molecular weight of 362.24 g/mol. Its IUPAC name is (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID90696926
Molecular FormulaC10H14Cl2NO3PS2
Molecular Weight362.24 g/mol
Exact Mass360.95
IUPAC Name(3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1nc(SC)c(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2NO3PS2/c1-4-14-17(18,15-5-2)16-9-7(11)6-8(12)10(13-9)19-3/h6H,4-5H2,1-3H3
InChIKeyFKMGMQGCFAFESS-UHFFFAOYSA-N
XLogP4.79
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane (CID 90696926) is (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Oc1nc(SC)c(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is FKMGMQGCFAFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2NO3PS2/c1-4-14-17(18,15-5-2)16-9-7(11)6-8(12)10(13-9)19-3/h6H,4-5H2,1-3H3.
What are the key properties of (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane?
(3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 362.24 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-6-methylsulfanyl-2-pyridinyl)oxy-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 90696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).