4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide

C11H11ClO2S — CID 12032605

IUPAC4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide
SMILESCC1(C)OS(=O)C(c2ccccc2)=C1Cl
InChIInChI=1S/C11H11ClO2S/c1-11(2)10(12)9(15(13)14-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyYFBSECWMJGBGPL-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.07
Rot. Bonds1

About 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide

4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide (PubChem CID 12032605) has the molecular formula C11H11ClO2S and a molecular weight of 242.73 g/mol. Its IUPAC name is 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide.

Molecular Properties

Compound Name4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide
PubChem CID12032605
Molecular FormulaC11H11ClO2S
Molecular Weight242.73 g/mol
Exact Mass242.02
IUPAC Name4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide
SMILESCC1(C)OS(=O)C(c2ccccc2)=C1Cl
InChIInChI=1S/C11H11ClO2S/c1-11(2)10(12)9(15(13)14-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyYFBSECWMJGBGPL-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide?
The IUPAC name of 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide (CID 12032605) is 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide.
What is the SMILES notation for 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide?
The canonical SMILES for 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide is CC1(C)OS(=O)C(c2ccccc2)=C1Cl.
What is the InChIKey of 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide?
The InChIKey is YFBSECWMJGBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2S/c1-11(2)10(12)9(15(13)14-11)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide?
4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide has a molecular weight of 242.73 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,5-dimethyl-3-phenyloxathiole 2-oxide is sourced from PubChem (CID 12032605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).