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

C12H18Cl2O2S — CID 174899363

IUPAC1,3-di(propan-2-yl)benzene;sulfuryl dichloride
SMILESCC(C)c1cccc(C(C)C)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C12H18.Cl2O2S/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-5(2,3)4/h5-10H,1-4H3;
InChIKeyRTSRBYXGIAEXRW-UHFFFAOYSA-N
MW297.25 g/mol
LogP4.64
Rot. Bonds2

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

1,3-di(propan-2-yl)benzene;sulfuryl dichloride (PubChem CID 174899363) has the molecular formula C12H18Cl2O2S and a molecular weight of 297.25 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;sulfuryl dichloride.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;sulfuryl dichloride
PubChem CID174899363
Molecular FormulaC12H18Cl2O2S
Molecular Weight297.25 g/mol
Exact Mass296.04
IUPAC Name1,3-di(propan-2-yl)benzene;sulfuryl dichloride
SMILESCC(C)c1cccc(C(C)C)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C12H18.Cl2O2S/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-5(2,3)4/h5-10H,1-4H3;
InChIKeyRTSRBYXGIAEXRW-UHFFFAOYSA-N
XLogP4.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-propan-2-ylphenyl)ethanamine
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dichloro-[2-(3-propan-2-ylphenyl)propyl]silane
CID 152763772
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
1-tert-butylsulfonyl-3-propan-2-ylbenzene
CID 155313432
1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene
CID 162772635
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
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CID 158378690

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;sulfuryl dichloride?
The IUPAC name of 1,3-di(propan-2-yl)benzene;sulfuryl dichloride (CID 174899363) is 1,3-di(propan-2-yl)benzene;sulfuryl dichloride.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;sulfuryl dichloride?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;sulfuryl dichloride is CC(C)c1cccc(C(C)C)c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;sulfuryl dichloride?
The InChIKey is RTSRBYXGIAEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.Cl2O2S/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-5(2,3)4/h5-10H,1-4H3;.
What are the key properties of 1,3-di(propan-2-yl)benzene;sulfuryl dichloride?
1,3-di(propan-2-yl)benzene;sulfuryl dichloride has a molecular weight of 297.25 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;sulfuryl dichloride is sourced from PubChem (CID 174899363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).