1-ethenyl-3-methylbenzene;sulfur dioxide

C9H10O2S — CID 157220077

IUPAC1-ethenyl-3-methylbenzene;sulfur dioxide
SMILESC=Cc1cccc(C)c1.O=S=O
InChIInChI=1S/C9H10.O2S/c1-3-9-6-4-5-8(2)7-9;1-3-2/h3-7H,1H2,2H3;
InChIKeyASWMAZDRASAZTD-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.97
Rot. Bonds1

About 1-ethenyl-3-methylbenzene;sulfur dioxide

1-ethenyl-3-methylbenzene;sulfur dioxide (PubChem CID 157220077) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-ethenyl-3-methylbenzene;sulfur dioxide.

Molecular Properties

Compound Name1-ethenyl-3-methylbenzene;sulfur dioxide
PubChem CID157220077
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-ethenyl-3-methylbenzene;sulfur dioxide
SMILESC=Cc1cccc(C)c1.O=S=O
InChIInChI=1S/C9H10.O2S/c1-3-9-6-4-5-8(2)7-9;1-3-2/h3-7H,1H2,2H3;
InChIKeyASWMAZDRASAZTD-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylbenzene;sulfur dioxide?
The IUPAC name of 1-ethenyl-3-methylbenzene;sulfur dioxide (CID 157220077) is 1-ethenyl-3-methylbenzene;sulfur dioxide.
What is the SMILES notation for 1-ethenyl-3-methylbenzene;sulfur dioxide?
The canonical SMILES for 1-ethenyl-3-methylbenzene;sulfur dioxide is C=Cc1cccc(C)c1.O=S=O.
What is the InChIKey of 1-ethenyl-3-methylbenzene;sulfur dioxide?
The InChIKey is ASWMAZDRASAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.O2S/c1-3-9-6-4-5-8(2)7-9;1-3-2/h3-7H,1H2,2H3;.
What are the key properties of 1-ethenyl-3-methylbenzene;sulfur dioxide?
1-ethenyl-3-methylbenzene;sulfur dioxide has a molecular weight of 182.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylbenzene;sulfur dioxide is sourced from PubChem (CID 157220077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).