1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene

C13H18OS — CID 132520425

IUPAC1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C/S(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H18OS/c1-11-5-7-12(8-6-11)9-10-15(14)13(2,3)4/h5-10H,1-4H3/b10-9+
InChIKeyIDPRBBBMCCFJIO-MDZDMXLPSA-N
MW222.35 g/mol
LogP3.51
Rot. Bonds2

About 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene

1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene (PubChem CID 132520425) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene
PubChem CID132520425
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C/S(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H18OS/c1-11-5-7-12(8-6-11)9-10-15(14)13(2,3)4/h5-10H,1-4H3/b10-9+
InChIKeyIDPRBBBMCCFJIO-MDZDMXLPSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene
CID 132520428
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
tert-butyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 11458639
tert-butyl (E)-3-[4-(4-methylphenyl)sulfinylphenyl]prop-2-enoate
CID 102146153
2-hydroxypropan-2-yl (E)-3-(4-methylphenyl)prop-2-enoate
CID 141366675
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
(R)-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 151898309
(E)-2-methyl-5-(4-methylphenyl)pent-4-en-2-ol
CID 177408870
2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane
CID 15644957
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene (CID 132520425) is 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene is Cc1ccc(/C=C/S(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene?
The InChIKey is IDPRBBBMCCFJIO-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H18OS/c1-11-5-7-12(8-6-11)9-10-15(14)13(2,3)4/h5-10H,1-4H3/b10-9+.
What are the key properties of 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene?
1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene has a molecular weight of 222.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-tert-butylsulfinylethenyl]-4-methylbenzene is sourced from PubChem (CID 132520425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).