sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene

C15H24Cl2O2S — CID 22723821

IUPACsulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1C(C)C.O=S(=O)(Cl)Cl
InChIInChI=1S/C15H24.Cl2O2S/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5(2,3)4/h7-12H,1-6H3;
InChIKeyDAUQESPJUCXKFM-UHFFFAOYSA-N
MW339.33 g/mol
LogP5.77
Rot. Bonds3

About sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene

sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene (PubChem CID 22723821) has the molecular formula C15H24Cl2O2S and a molecular weight of 339.33 g/mol. Its IUPAC name is sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene.

Molecular Properties

Compound Namesulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
PubChem CID22723821
Molecular FormulaC15H24Cl2O2S
Molecular Weight339.33 g/mol
Exact Mass338.09
IUPAC Namesulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1C(C)C.O=S(=O)(Cl)Cl
InChIInChI=1S/C15H24.Cl2O2S/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5(2,3)4/h7-12H,1-6H3;
InChIKeyDAUQESPJUCXKFM-UHFFFAOYSA-N
XLogP5.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.33
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene?
The IUPAC name of sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene (CID 22723821) is sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene.
What is the SMILES notation for sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene?
The canonical SMILES for sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1C(C)C.O=S(=O)(Cl)Cl.
What is the InChIKey of sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene?
The InChIKey is DAUQESPJUCXKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.Cl2O2S/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5(2,3)4/h7-12H,1-6H3;.
What are the key properties of sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene?
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene has a molecular weight of 339.33 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene is sourced from PubChem (CID 22723821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).