3-methylbut-2-en-2-ylsulfinylbenzene

C11H14OS — CID 535232

IUPAC3-methylbut-2-en-2-ylsulfinylbenzene
SMILESCC(C)=C(C)S(=O)c1ccccc1
InChIInChI=1S/C11H14OS/c1-9(2)10(3)13(12)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyMWJHJEBZUCGRCH-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.11
Rot. Bonds2

About 3-methylbut-2-en-2-ylsulfinylbenzene

3-methylbut-2-en-2-ylsulfinylbenzene (PubChem CID 535232) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-methylbut-2-en-2-ylsulfinylbenzene.

Molecular Properties

Compound Name3-methylbut-2-en-2-ylsulfinylbenzene
PubChem CID535232
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name3-methylbut-2-en-2-ylsulfinylbenzene
SMILESCC(C)=C(C)S(=O)c1ccccc1
InChIInChI=1S/C11H14OS/c1-9(2)10(3)13(12)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyMWJHJEBZUCGRCH-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-en-2-ylsulfinylbenzene?
The IUPAC name of 3-methylbut-2-en-2-ylsulfinylbenzene (CID 535232) is 3-methylbut-2-en-2-ylsulfinylbenzene.
What is the SMILES notation for 3-methylbut-2-en-2-ylsulfinylbenzene?
The canonical SMILES for 3-methylbut-2-en-2-ylsulfinylbenzene is CC(C)=C(C)S(=O)c1ccccc1.
What is the InChIKey of 3-methylbut-2-en-2-ylsulfinylbenzene?
The InChIKey is MWJHJEBZUCGRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-9(2)10(3)13(12)11-7-5-4-6-8-11/h4-8H,1-3H3.
What are the key properties of 3-methylbut-2-en-2-ylsulfinylbenzene?
3-methylbut-2-en-2-ylsulfinylbenzene has a molecular weight of 194.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-en-2-ylsulfinylbenzene is sourced from PubChem (CID 535232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).