dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane

C6H11Cl2O3PS — CID 14699861

IUPACdichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane
SMILESCC1(C)OCC(COP(=S)(Cl)Cl)O1
InChIInChI=1S/C6H11Cl2O3PS/c1-6(2)9-3-5(11-6)4-10-12(7,8)13/h5H,3-4H2,1-2H3
InChIKeyFBGWHNAEYVQEOJ-UHFFFAOYSA-N
MW265.10 g/mol
LogP2.86
Rot. Bonds3

About dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane

dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane (PubChem CID 14699861) has the molecular formula C6H11Cl2O3PS and a molecular weight of 265.10 g/mol. Its IUPAC name is dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane
PubChem CID14699861
Molecular FormulaC6H11Cl2O3PS
Molecular Weight265.10 g/mol
Exact Mass263.95
IUPAC Namedichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane
SMILESCC1(C)OCC(COP(=S)(Cl)Cl)O1
InChIInChI=1S/C6H11Cl2O3PS/c1-6(2)9-3-5(11-6)4-10-12(7,8)13/h5H,3-4H2,1-2H3
InChIKeyFBGWHNAEYVQEOJ-UHFFFAOYSA-N
XLogP2.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.86
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

2,2-dimethyl-4-(methylsulfanyloxymethyl)-1,3-dioxolane
CID 126562588
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
CID 59269279
CID 59269279
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 91593989
(4R)-2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
CID 102409102
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 160799627
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(trimethylazaniumyl)propyl phosphate
CID 23273251

Frequently Asked Questions

What is the IUPAC name of dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane?
The IUPAC name of dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane (CID 14699861) is dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane is CC1(C)OCC(COP(=S)(Cl)Cl)O1.
What is the InChIKey of dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane?
The InChIKey is FBGWHNAEYVQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2O3PS/c1-6(2)9-3-5(11-6)4-10-12(7,8)13/h5H,3-4H2,1-2H3.
What are the key properties of dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane?
dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane has a molecular weight of 265.10 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14699861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).