zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane

C13H19O2PS2Zn — CID 67258684

IUPACzinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCc1ccc(SP([O-])([O-])=S)c(C)c1CCC.[Zn+2]
InChIInChI=1S/C13H21O2PS2.Zn/c1-4-6-11-8-9-13(18-16(14,15)17)10(3)12(11)7-5-2;/h8-9H,4-7H2,1-3H3,(H2,14,15,17);/q;+2/p-2
InChIKeyDAIDCNOEIKGXQG-UHFFFAOYSA-L
MW367.79 g/mol
LogP2.93
Rot. Bonds6

About zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane

zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 67258684) has the molecular formula C13H19O2PS2Zn and a molecular weight of 367.79 g/mol. Its IUPAC name is zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
PubChem CID67258684
Molecular FormulaC13H19O2PS2Zn
Molecular Weight367.79 g/mol
Exact Mass365.99
IUPAC Namezinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCc1ccc(SP([O-])([O-])=S)c(C)c1CCC.[Zn+2]
InChIInChI=1S/C13H21O2PS2.Zn/c1-4-6-11-8-9-13(18-16(14,15)17)10(3)12(11)7-5-2;/h8-9H,4-7H2,1-3H3,(H2,14,15,17);/q;+2/p-2
InChIKeyDAIDCNOEIKGXQG-UHFFFAOYSA-L
XLogP2.93
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane (CID 67258684) is zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane is CCCc1ccc(SP([O-])([O-])=S)c(C)c1CCC.[Zn+2].
What is the InChIKey of zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is DAIDCNOEIKGXQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H21O2PS2.Zn/c1-4-6-11-8-9-13(18-16(14,15)17)10(3)12(11)7-5-2;/h8-9H,4-7H2,1-3H3,(H2,14,15,17);/q;+2/p-2.
What are the key properties of zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 367.79 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 67258684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).