1-(1-ethenylsulfonylethenyl)-4-methylbenzene

C11H12O2S — CID 159516055

IUPAC1-(1-ethenylsulfonylethenyl)-4-methylbenzene
SMILESC=CS(=O)(=O)C(=C)c1ccc(C)cc1
InChIInChI=1S/C11H12O2S/c1-4-14(12,13)10(3)11-7-5-9(2)6-8-11/h4-8H,1,3H2,2H3
InChIKeyMBFBUKQQJUTMHJ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.52
Rot. Bonds3

About 1-(1-ethenylsulfonylethenyl)-4-methylbenzene

1-(1-ethenylsulfonylethenyl)-4-methylbenzene (PubChem CID 159516055) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(1-ethenylsulfonylethenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-ethenylsulfonylethenyl)-4-methylbenzene
PubChem CID159516055
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name1-(1-ethenylsulfonylethenyl)-4-methylbenzene
SMILESC=CS(=O)(=O)C(=C)c1ccc(C)cc1
InChIInChI=1S/C11H12O2S/c1-4-14(12,13)10(3)11-7-5-9(2)6-8-11/h4-8H,1,3H2,2H3
InChIKeyMBFBUKQQJUTMHJ-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
sulfuric acid;1,4-xylene
CID 18423372
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
ethene;bis(4-methylbenzenesulfonic acid)
CID 175141625
prop-2-enoic acid;1,4-xylene
CID 67822281
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
4-methylbenzenesulfonic acid
CID 157221593
N-ethenyl-4-methylbenzamide
CID 22624715
1-ethenylcyclopropan-1-amine;4-methylbenzenesulfonic acid
CID 173060811

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylsulfonylethenyl)-4-methylbenzene?
The IUPAC name of 1-(1-ethenylsulfonylethenyl)-4-methylbenzene (CID 159516055) is 1-(1-ethenylsulfonylethenyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-ethenylsulfonylethenyl)-4-methylbenzene?
The canonical SMILES for 1-(1-ethenylsulfonylethenyl)-4-methylbenzene is C=CS(=O)(=O)C(=C)c1ccc(C)cc1.
What is the InChIKey of 1-(1-ethenylsulfonylethenyl)-4-methylbenzene?
The InChIKey is MBFBUKQQJUTMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-4-14(12,13)10(3)11-7-5-9(2)6-8-11/h4-8H,1,3H2,2H3.
What are the key properties of 1-(1-ethenylsulfonylethenyl)-4-methylbenzene?
1-(1-ethenylsulfonylethenyl)-4-methylbenzene has a molecular weight of 208.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylsulfonylethenyl)-4-methylbenzene is sourced from PubChem (CID 159516055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).