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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Related Compounds

1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene
CID 57110357
2,6-di(propan-2-yl)benzenesulfonic acid
CID 18935127
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527
1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
1-phosphorosooxy-2,3-di(propan-2-yl)benzene
CID 141326845
1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
CID 141059308
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
1,2-di(propan-2-yl)-3-(2-propan-2-ylphenyl)benzene;gold(1+);chloride
CID 90072599
chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid
CID 151663674
2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal
CID 87916121
1-[2,3-di(propan-2-yl)phenyl]-2,2,2-trifluoroethanone
CID 166059963

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).