ethenylsulfonylmethyl(113C)cyclohexatriene

C9H10O2S — CID 67499319

IUPACethenylsulfonylmethyl(113C)cyclohexatriene
SMILESC=CS(=O)(=O)C[13c]1ccccc1
InChIInChI=1S/C9H10O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h2-7H,1,8H2/i9+1
InChIKeyCYHFPQIAMFXACF-QBZHADDCSA-N
MW183.24 g/mol
LogP1.74
Rot. Bonds3

About ethenylsulfonylmethyl(113C)cyclohexatriene

ethenylsulfonylmethyl(113C)cyclohexatriene (PubChem CID 67499319) has the molecular formula C9H10O2S and a molecular weight of 183.24 g/mol. Its IUPAC name is ethenylsulfonylmethyl(113C)cyclohexatriene.

Molecular Properties

Compound Nameethenylsulfonylmethyl(113C)cyclohexatriene
PubChem CID67499319
Molecular FormulaC9H10O2S
Molecular Weight183.24 g/mol
Exact Mass183.04
IUPAC Nameethenylsulfonylmethyl(113C)cyclohexatriene
SMILESC=CS(=O)(=O)C[13c]1ccccc1
InChIInChI=1S/C9H10O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h2-7H,1,8H2/i9+1
InChIKeyCYHFPQIAMFXACF-QBZHADDCSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene
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cerium(3+);phenylmethanesulfonate
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alumane;phenylmethanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of ethenylsulfonylmethyl(113C)cyclohexatriene?
The IUPAC name of ethenylsulfonylmethyl(113C)cyclohexatriene (CID 67499319) is ethenylsulfonylmethyl(113C)cyclohexatriene.
What is the SMILES notation for ethenylsulfonylmethyl(113C)cyclohexatriene?
The canonical SMILES for ethenylsulfonylmethyl(113C)cyclohexatriene is C=CS(=O)(=O)C[13c]1ccccc1.
What is the InChIKey of ethenylsulfonylmethyl(113C)cyclohexatriene?
The InChIKey is CYHFPQIAMFXACF-QBZHADDCSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h2-7H,1,8H2/i9+1.
What are the key properties of ethenylsulfonylmethyl(113C)cyclohexatriene?
ethenylsulfonylmethyl(113C)cyclohexatriene has a molecular weight of 183.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfonylmethyl(113C)cyclohexatriene is sourced from PubChem (CID 67499319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).