[(R)-tert-butylsulfinyl]benzene

C10H14OS — CID 11148098

IUPAC[(R)-tert-butylsulfinyl]benzene
SMILESCC(C)(C)[S@@](=O)c1ccccc1
InChIInChI=1S/C10H14OS/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m0/s1
InChIKeyAZUKVBVKGMKZIL-LBPRGKRZSA-N
MW182.29 g/mol
LogP2.59
Rot. Bonds1

About [(R)-tert-butylsulfinyl]benzene

[(R)-tert-butylsulfinyl]benzene (PubChem CID 11148098) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is [(R)-tert-butylsulfinyl]benzene.

Molecular Properties

Compound Name[(R)-tert-butylsulfinyl]benzene
PubChem CID11148098
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name[(R)-tert-butylsulfinyl]benzene
SMILESCC(C)(C)[S@@](=O)c1ccccc1
InChIInChI=1S/C10H14OS/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m0/s1
InChIKeyAZUKVBVKGMKZIL-LBPRGKRZSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(R)-tert-butylsulfinyl]benzene?
The IUPAC name of [(R)-tert-butylsulfinyl]benzene (CID 11148098) is [(R)-tert-butylsulfinyl]benzene.
What is the SMILES notation for [(R)-tert-butylsulfinyl]benzene?
The canonical SMILES for [(R)-tert-butylsulfinyl]benzene is CC(C)(C)[S@@](=O)c1ccccc1.
What is the InChIKey of [(R)-tert-butylsulfinyl]benzene?
The InChIKey is AZUKVBVKGMKZIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C10H14OS/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m0/s1.
What are the key properties of [(R)-tert-butylsulfinyl]benzene?
[(R)-tert-butylsulfinyl]benzene has a molecular weight of 182.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-tert-butylsulfinyl]benzene is sourced from PubChem (CID 11148098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).