ethyl benzoate;sulfuryl dichloride

C9H10Cl2O4S — CID 159512060

IUPACethyl benzoate;sulfuryl dichloride
SMILESCCOC(=O)c1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H10O2.Cl2O2S/c1-2-11-9(10)8-6-4-3-5-7-8;1-5(2,3)4/h3-7H,2H2,1H3;
InChIKeyMASNVFBPWRVODG-UHFFFAOYSA-N
MW285.15 g/mol
LogP2.57
Rot. Bonds2

About ethyl benzoate;sulfuryl dichloride

ethyl benzoate;sulfuryl dichloride (PubChem CID 159512060) has the molecular formula C9H10Cl2O4S and a molecular weight of 285.15 g/mol. Its IUPAC name is ethyl benzoate;sulfuryl dichloride.

Molecular Properties

Compound Nameethyl benzoate;sulfuryl dichloride
PubChem CID159512060
Molecular FormulaC9H10Cl2O4S
Molecular Weight285.15 g/mol
Exact Mass283.97
IUPAC Nameethyl benzoate;sulfuryl dichloride
SMILESCCOC(=O)c1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H10O2.Cl2O2S/c1-2-11-9(10)8-6-4-3-5-7-8;1-5(2,3)4/h3-7H,2H2,1H3;
InChIKeyMASNVFBPWRVODG-UHFFFAOYSA-N
XLogP2.57
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl benzoate;sulfuryl dichloride?
The IUPAC name of ethyl benzoate;sulfuryl dichloride (CID 159512060) is ethyl benzoate;sulfuryl dichloride.
What is the SMILES notation for ethyl benzoate;sulfuryl dichloride?
The canonical SMILES for ethyl benzoate;sulfuryl dichloride is CCOC(=O)c1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of ethyl benzoate;sulfuryl dichloride?
The InChIKey is MASNVFBPWRVODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.Cl2O2S/c1-2-11-9(10)8-6-4-3-5-7-8;1-5(2,3)4/h3-7H,2H2,1H3;.
What are the key properties of ethyl benzoate;sulfuryl dichloride?
ethyl benzoate;sulfuryl dichloride has a molecular weight of 285.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl benzoate;sulfuryl dichloride is sourced from PubChem (CID 159512060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).